| SpectraBase Spectrum ID |
2oRZzd60pvc |
| Name |
2,6-Dimethylbenzonitrile |
| CAS Registry Number |
6575-13-9 |
| 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 |
131.073499294 u |
| Formula |
C9H9N |
| InChI |
InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3 |
| InChIKey |
QSACPWSIIRFHHR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
131.178 g/mol |
| Nominal Mass |
131 u |
| Quality |
972 |
| Retention Index |
1001 |
| SMILES |
C1(=C(C=CC=C1C)C)C#N |
| SPLASH |
splash10-00lr-6900000000-119fb90176ffa7472bef |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Cyano-m-xylene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_028392 |
