| SpectraBase Spectrum ID |
JAf3nDA6QmS |
| Name |
2,5-Dimethoxybenzonitrile |
| CAS Registry Number |
5312-97-0 |
| 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 |
163.063328532 u |
| Formula |
C9H9NO2 |
| InChI |
InChI=1S/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3 |
| InChIKey |
HWAMEJIMXIXLIH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.176 g/mol |
| Nominal Mass |
163 u |
| Quality |
990 |
| Retention Index |
1218 |
| SMILES |
C=1(C(=CC=C(C1)OC)OC)C#N |
| SPLASH |
splash10-01ot-3900000000-13d306387755c25a7957 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2,5-dimethoxybenzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001007 |
