3-Indazolinone(7364-25-2) MS
Product Name3-Indazolinone
CAS7364-25-2
Molecular FormulaC7H6N2O
Molecular Weight134.14
InChIInChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
InChIKey SWEICGMKXPNXNU-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C(=O)N1
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MassMS-NW-6707 3-indazolinone C7H6N2O (Mass of molecular ion: 134)
Source Temperature: 230 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 1.7 25.0 1.0 26.0 3.5 27.0 5.8 28.0 5.9 29.0 7.4 30.0 1.1 36.0 1.5 37.0 13.1 38.0 16.7 39.0 16.1 40.0 2.9 41.0 2.6 43.0 2.3 44.0 5.5 45.0 1.0 48.0 1.0 49.0 5.8 50.0 37.6 51.0 47.3 52.0 37.0 53.0 7.0 54.0 2.4 55.0 1.2 60.0 1.6 61.0 6.4 62.0 9.5 63.0 19.8 64.0 13.4 65.0 5.8 66.0 1.4 67.0 2.4 73.0 4.1 74.0 15.0 75.0 12.0 76.0 29.2 77.0 76.8 78.0 39.2 79.0 36.2 80.0 4.3 86.0 1.3 87.0 1.5 88.0 1.7 89.0 2.0 90.0 3.8 91.0 6.3 92.0 1.6 104.0 6.0 105.0 100.0 106.0 10.6 118.0 1.5 133.0 2.7 134.0 89.5 135.0 7.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 N2 O 0.041 g : 0.5 ml DMSO-d6 3-indazolinone 
Assign. Shift(ppm)
A 11. B 7.674 C 7.31 D 6.944
Hz ppm Int.4445.82 11.125 31 3071.15 7.685 413 3063.28 7.665 432 2933.96 7.342 68 2933.59 7.341 67 2922.24 7.312 1000
in DMSO-d6
KBr disk
nujol mull
