| SpectraBase Spectrum ID |
2lEnBZj2rdQ |
| Name |
4-Isopropylbenzonitrile |
| CAS Registry Number |
2571-52-0 |
| Classification |
Designer drug side product |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
145.089149358 u |
| Formula |
C10H11N |
| InChI |
InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3 |
| InChIKey |
YFDJCWXBKWRDPW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
145.205 g/mol |
| Nominal Mass |
145 u |
| Quality |
952 |
| Retention Index |
1247 |
| SMILES |
C=1(C(C)C)C=CC(=CC1)C#N |
| SPLASH |
splash10-0f89-2900000000-f783d5bf13b5ac2032b3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(propan-2-yl)benzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025497 |
