| SpectraBase Spectrum ID |
44Tzy9FHBTd |
| Name |
2-(Methoxycarbonyl)-.alpha.-acetyl-dihydrocinnamyl-nitrile |
| Alternate Name(s) |
methyl 2-(2-cyano-3-oxobutyl)benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO3 |
| InChI |
InChI=1S/C13H13NO3/c1-9(15)11(8-14)7-10-5-3-4-6-12(10)13(16)17-2/h3-6,11H,7H2,1-2H3 |
| InChIKey |
OPFUKHUMSFAGIP-UHFFFAOYSA-N |
| Molecular Weight |
231.251 g/mol |
| SMILES |
C(C#N)(Cc1c(C(=O)OC)cccc1)C(=O)C |
| SPLASH |
splash10-0006-9000000000-6b4d8949495b7ffa0df0 |
| Source of Spectrum |
D8-326-861-3 |
| Wiley ID |
1514902 |
