| SpectraBase Spectrum ID |
BOAJgvq5cXW |
| Name |
3-Cyanopropiophenone |
| Alternate Name(s) |
4-Keto-4-phenyl-butyronitrile
3-Propionylbenzonitrile
4-Oxidanylidene-4-phenyl-butanenitrile
4-Oxo-4-phenyl-butanenitrile
3-(1-Oxopropyl)benzonitrile
3-Propanoylbenzonitrile
3-Propanoylbenzenecarbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H9NO |
| InChI |
InChI=1S/C10H9NO/c1-2-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2H2,1H3 |
| InChIKey |
RQNDMQXNIOALFA-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1021/ol1028892 |
| Molecular Weight |
159.188 g/mol |
| SMILES |
c1(cc(C#N)ccc1)C(=O)CC |
| SPLASH |
splash10-001i-0900000000-1a0004b772715a12f858 |
| Source of Spectrum |
A1-13-648/SMS8-Table2,entry8 |
| Wiley ID |
1749869 |
