Indigo Carmine(860-22-0) IR1
Product NameIndigo Carmine
CAS860-22-0
Molecular FormulaC16H11N2NaO8S2
Molecular Weight446.38
InChIInChI=1S/C16H10N2O8S2.Na.H/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;
InChIKey ZXAVLMDMGIWZIO-UHFFFAOYSA-N
SmilesO=C1C2C=C(S(O)(=O)=O)C=CC=2NC1=C1NC2C=CC(S(O)(=O)=O)=CC=2C1=O.[NaH]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C16 H8 N2 Na2 O8 S2 saturated in DMSO-d6 indigo carmine 
Assign. Shift(ppm)
A 10.7 B 7.827 C 7.779 D 7.280
Hz ppm Int.4273.53 10.694 29 4263.91 10.670 552 4253.69 10.644 23 3137.97 7.852 26 3130.95 7.835 232 3129.12 7.830 962 3127.75 7.827 1000 3121.49 7.811 30 3114.47 7.793 783 3112.64 7.789 578 3109.28 7.781 65 3106.08 7.773 822 3104.25 7.768 742 2914.12 7.292 819 2913.67 7.291 797 2909.39 7.280 60 2905.73 7.271 787 2905.12 7.270 787
in DMSO-d6
KBr disc
nujol mull
