SpectraBase Spectrum ID |
1hyTEAqXrc |
Name |
2-Benzyl-1-cyanomethyl-5-nitro-1,2-dihydro-3H-indazol-3-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
308.090940259 u |
Formula |
C16H12N4O3 |
InChI |
InChI=1S/C16H12N4O3/c17-8-9-18-15-7-6-13(20(22)23)10-14(15)16(21)19(18)11-12-4-2-1-3-5-12/h1-7,10H,9,11H2 |
InChIKey |
MUWMQFIVAHPYLK-UHFFFAOYSA-N |
Ionization Type |
EI |
Molecular Weight |
308.297 g/mol |
Quality |
204 |
SMILES |
C1(=CC=CC=C1)CN1N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CC#N |
SPLASH |
splash10-053r-0397000000-6d4d49c451e7b4da5ad8 |
Source of Spectrum |
ES2614131A1 |
Wiley ID |
1894588 |