| SpectraBase Spectrum ID |
9n4UxrObfK1 |
| Name |
Benzoic acid 2-cyano-1-methoxycarbonylmethyl-ethyl ester |
| Alternate Name(s) |
Methyl (RS)-3-benzoyloxy-4-cyanobutanoate
benzoic acid (1-cyano-4-methoxy-4-oxobutan-2-yl) ester
(1-cyano-4-methoxy-4-oxobutan-2-yl) benzoate
[1-(cyanomethyl)-3-methoxy-3-oxo-propyl] benzoate
(1-cyano-4-methoxy-4-oxidanylidene-butan-2-yl) benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-17-12(15)9-11(7-8-14)18-13(16)10-5-3-2-4-6-10/h2-6,11H,7,9H2,1H3 |
| InChIKey |
KZBKWDMGVQJTDC-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
C(OC(CC(=O)OC)CC#N)(=O)c1ccccc1 |
| SPLASH |
splash10-05ai-6900000000-9bc9c120164b371bd945 |
| Source of Spectrum |
G2-2-451-14 |
| Wiley ID |
1661506 |
![benzoic acid [1-(cyanomethyl)-3-keto-3-methoxy-propyl] ester](/api/spectrum/9n4UxrObfK1/structure.png?h=300&w=458 "benzoic acid [1-(cyanomethyl)-3-keto-3-methoxy-propyl] ester")
