| SpectraBase Spectrum ID |
JInAK3fvULA |
| Name |
m-Chloroaniline |
| CAS Registry Number |
108-42-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
127.018876897 u |
| Formula |
C6H6ClN |
| InChI |
InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey |
PNPCRKVUWYDDST-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
127.574 g/mol |
| Nominal Mass |
127 u |
| Quality |
976 |
| Retention Index |
947 |
| SMILES |
NC1=CC(=CC=C1)Cl |
| SPLASH |
splash10-004i-9800000000-72351320a6eb34fbd205 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Chloroaniline |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005236 |
