| SpectraBase Spectrum ID |
8JomD5DHLyy |
| Name |
4-Nitrobenzyl chloride |
| CAS Registry Number |
100-14-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
171.008706135 u |
| Formula |
C7H6ClNO2 |
| InChI |
InChI=1S/C7H6ClNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2 |
| InChIKey |
KGCNHWXDPDPSBV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
171.583 g/mol |
| Nominal Mass |
171 u |
| Quality |
998 |
| Retention Index |
1412 |
| SMILES |
C=1([N+](=O)[O-])C=CC(=CC1)CCl |
| SPLASH |
splash10-000i-9800000000-716d878dd34a0d1f9bc5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzene,1-(chloromethyl)-4-nitro-
1-(Chloromethyl)-4-nitrobenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026541 |
