| SpectraBase Spectrum ID |
JJEJnndbtc8 |
| Name |
1,3-Dichloro-2-chloromethylbenzene |
| CAS Registry Number |
94-99-5 |
| 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 |
193.945683261 u |
| Formula |
C7H5Cl3 |
| InChI |
InChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2 |
| InChIKey |
LBOBESSDSGODDD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
195.476 g/mol |
| Nominal Mass |
194 u |
| Quality |
964 |
| Retention Index |
1256 |
| SMILES |
C1(=C(C=CC=C1Cl)Cl)CCl |
| SPLASH |
splash10-0bt9-4900000000-b28f248e34391abf19fb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,3-dichloro-2-(chloromethyl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000890 |
