| SpectraBase Spectrum ID |
JWCmI8yND0k |
| Name |
Benzene, (nitromethyl)- |
| CAS Registry Number |
622-42-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H7NO2 |
| InChI |
InChI=1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey |
VLZLOWPYUQHHCG-UHFFFAOYSA-N |
| Molecular Weight |
137.138 g/mol |
| SMILES |
C(N(=O)=O)c1ccccc1 |
| SPLASH |
splash10-0006-9000000000-38bc36a129458e4ede93 |
| Source of Spectrum |
J-53-2873-2 |
| Synonyms |
.alpha.-Nitrotoluene
Nitromethylbenzene
Nitrophenylmethane
Phenylnitromethane
Toluene, .alpha.-nitro-
NSC 3439 |
| Wiley ID |
1137195 |
