| SpectraBase Spectrum ID |
ExVPkH0KmSi |
| Name |
2-(Methoxycarbonyl)-.alpha.-acetylcinnamyl-nitrile |
| Alternate Name(s) |
methyl 2-[(1E)-2-cyano-3-oxo-1-butenyl]benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11NO3 |
| InChI |
InChI=1S/C13H11NO3/c1-9(15)11(8-14)7-10-5-3-4-6-12(10)13(16)17-2/h3-7H,1-2H3/b11-7+ |
| InChIKey |
SLBMSFPVHXFQHM-YRNVUSSQSA-N |
| Molecular Weight |
229.235 g/mol |
| SMILES |
c1(\C=C/(C#N)C(=O)C)c(C(=O)OC)cccc1 |
| SPLASH |
splash10-000i-0900000000-c107ce1ec6b006750760 |
| Source of Spectrum |
D8-326-860-6 |
| Wiley ID |
1514910 |
