| SpectraBase Spectrum ID |
8JZp9qW0yeW |
| Name |
o-Chlorobenzylmalononitrile |
| CAS Registry Number |
40915-55-7 |
| Classification |
Lacrimator |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
190.029775933 u |
| Formula |
C10H7ClN2 |
| InChI |
InChI=1S/C10H7ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-4,8H,5H2 |
| InChIKey |
YETVIAIVJSRDFR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.633 g/mol |
| Nominal Mass |
190 u |
| Quality |
992 |
| Retention Index |
1449 |
| SMILES |
C=1(C(=CC=CC1)Cl)CC(C#N)C#N |
| SPLASH |
splash10-004i-6900000000-e1f00ba857cd57edc675 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dihydro CS
2-[(2-Chlorophenyl)methyl]propanedinitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000908 |
