| SpectraBase Spectrum ID |
JHPJJij1ADg |
| Name |
3-Methyl-5-phenyl-2-pentenenitrile |
| CAS Registry Number |
93893-89-1 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
171.104799423 u |
| Formula |
C12H13N |
| InChI |
InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3/b11-9+ |
| InChIKey |
QELCXXZZKSRBET-PKNBQFBNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
171.243 g/mol |
| Nominal Mass |
171 u |
| Quality |
982 |
| Retention Index |
1289 |
| SMILES |
C1(CC\C(=C\C#N)C)=CC=CC=C1 |
| SPLASH |
splash10-0006-9100000000-1014462acb1beeb3a2aa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methyl-5-phenylpent-2-enenitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006890 |
