Product Name5,5'-THIODISALICYLIC ACID
CAS1820-99-1
Molecular FormulaC14H10O6S
Molecular Weight306.29
InChIInChI=1S/C14H10O6S/c15-11-3-1-7(5-9(11)13(17)18)21-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKey DWMJRSPNFCPIQN-UHFFFAOYSA-N
SmilesS(C1C=CC(O)=C(C=1)C(O)=O)C1C=CC(O)=C(C=1)C(O)=O
Mass
MS-NW-2164 5,5'-thiodisalicylic acid C14H10O6S (Mass of molecular ion: 306)
Source Temperature: 230 °C Sample Temperature: 250 °C Direct, 75 eV
12.0 2.3 16.0 4.3 17.0 3.8 18.0 13.8 26.0 1.4 27.0 4.6 28.0 11.5 29.0 2.4 37.0 2.3 38.0 6.7 39.0 24.4 40.0 1.9 43.0 1.5 44.0 71.0 45.0 17.7 47.0 1.1 50.0 4.6 51.0 7.0 52.0 2.1 53.0 15.1 54.0 1.1 55.0 4.2 58.0 1.0 61.0 2.7 62.0 8.7 63.0 26.8 64.0 7.3 65.0 11.1 66.0 3.9 67.0 1.9 69.0 15.2 70.0 9.6 71.0 4.6 72.0 1.4 74.0 2.1 75.0 2.2 76.0 1.1 77.0 3.0 78.0 1.3 79.0 8.4 79.5 1.4 80.0 1.6 81.0 8.2 82.0 1.8 85.0 4.7 85.5 1.2 86.0 1.6 87.0 1.0 89.0 3.4 90.0 1.3 91.0 3.5 92.0 5.6 93.0 3.4 93.5 2.1 94.0 12.5 94.5 1.0 95.0 23.5 96.0 5.3 97.0 9.3 98.0 4.6 99.0 1.0 100.0 1.5 101.0 1.0 102.0 1.9 107.0 2.4 108.0 2.8 109.0 1.5 114.0 2.9 115.0 14.5 116.0 3.1 117.0 1.0 118.0 3.4 119.0 1.3 120.0 2.9 121.0 1.9 122.0 6.8 123.0 2.6 124.0 2.8 125.0 8.8 126.0 5.5 127.0 4.3 128.0 4.0 129.0 1.3 131.0 6.3 132.0 1.3 133.0 1.2 134.0 1.7 135.0 2.8 137.0 4.5 138.0 1.3 139.0 1.0 143.0 1.4 144.0 6.8 145.0 2.2 147.0 1.1 150.0 1.1 151.0 4.1 152.0 1.8 155.0 11.4 156.0 2.6 157.0 6.6 158.0 11.3 159.0 5.6 160.0 3.0 161.0 1.9 162.0 1.7 163.0 2.8 169.0 1.2 170.0 1.5 171.0 13.2 172.0 2.1 173.0 1.6 176.0 4.5 183.0 2.6 184.0 2.8 185.0 5.1 186.0 10.0 187.0 37.4 188.0 57.3 189.0 11.8 190.0 3.7 191.0 2.3 199.0 3.7 200.0 2.6 201.0 2.6 202.0 1.2 203.0 1.2 214.0 9.5 215.0 5.0 216.0 5.9 217.0 7.9 218.0 35.7 219.0 5.6 220.0 2.4 243.0 5.0 244.0 100.0 245.0 15.5 246.0 6.8 261.0 1.8 262.0 75.1 263.0 11.2 264.0 5.2 270.0 14.1 271.0 3.0 272.0 1.1 288.0 12.4 289.0 2.4 290.0 1.0 306.0 10.6 307.0 1.7 308.0 1.0
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C14 H10 O6 S | 0.040 g : 0.5 ml DMSO-d6 |
5,5'-thiodisalicylic acid |
Assign. Shift(ppm) |
Hz ppm Int.
3110.35 7.783 975 3107.97 7.777 1000 3104.31 7.768 27 3008.51 7.528 651 3005.95 7.522 643 2999.72 7.506 714 2997.34 7.500 729 2803.73 7.016 990 2799.70 7.006 31 2798.78 7.004 33 2795.12 6.994 935
in DMSO-d6
KBr disc
nujol mull
5,5'-THIODISALICYLIC ACID(1820-99-1) MS Atlas of Related Products
HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase
Copyright © 2017 ChemicalBook All rights reserved.