3-NITROBENZHYDRAZIDE(618-94-0) MS
Product Name3-NITROBENZHYDRAZIDE
CAS618-94-0
Molecular FormulaC7H7N3O3
Molecular Weight181.15
InChIInChI=1S/C7H7N3O3/c8-9-7(11)5-2-1-3-6(4-5)10(12)13/h1-4H,8H2,(H,9,11)
InChIKey NQEWXLVDAVTOHM-UHFFFAOYSA-N
SmilesC(NN)(=O)C1=CC=CC([N+]([O-])=O)=C1
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MassMS-NW-2257 m-nitrobenzohydrazide C7H7N3O3 (Mass of molecular ion: 181)
Source Temperature: 190 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.0 18.0 5.8 28.0 3.9 30.0 1.1 31.0 4.4 38.0 1.1 39.0 1.4 50.0 10.9 51.0 3.3 63.0 1.9 64.0 2.5 65.0 1.2 74.0 3.5 75.0 8.6 76.0 33.1 77.0 3.6 92.0 6.9 104.0 43.1 105.0 3.8 120.0 1.2 122.0 2.8 134.0 2.4 150.0 100.0 151.0 10.3 152.0 1.0 181.0 28.6 182.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H7 N3 O3 0.037 g : 0.5 ml DMSO-d6 m-nitrobenzohydrazide 
Assign. Shift(ppm)
A 10.2 B 8.659 C 8.378 D 8.280 E 7.788 F 4.7
Hz ppm Int.4074.17 10.195 322 3462.58 8.665 645 3460.75 8.660 964 3458.92 8.655 690 3354.33 8.394 410 3353.23 8.391 493 3351.95 8.388 440 3350.85 8.385 441 3346.09 8.373 461 3344.99 8.370 508 3343.70 8.367 494 3342.61 8.364 456 3314.76 8.295 431 3313.67 8.292 552 3313.12 8.291 534 3312.02 8.288 439 3306.89 8.275 475 3305.79 8.272 568 3305.42 8.271 594 3304.32 8.269 465 3120.42 7.808 587 3112.37 7.788 1000 3108.15 7.778 43 3107.60 7.776 42 3107.24 7.775 42 3104.31 7.768 513 1863.17 4.663 537
KBr disc
nujol mull
4880 A,200 M,powder
