| SpectraBase Spectrum ID |
9RQ2f6Al909 |
| Name |
Valeric acid, 2-cyano-2-hydroxy-3-methyl-, ethyl ester, benzoate (ester) |
| CAS Registry Number |
19788-62-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-4-12(3)16(11-17,15(19)20-5-2)21-14(18)13-9-7-6-8-10-13/h6-10,12H,4-5H2,1-3H3 |
| InChIKey |
IKGSENPDNXXJKM-UHFFFAOYSA-N |
| Molecular Weight |
289.331 g/mol |
| SMILES |
CCC(C)C(C#N)(C(=O)OCC)OC(c1ccccc1)=O |
| SPLASH |
splash10-0aou-9820000000-52f043aeb61a6f33b991 |
| Source of Spectrum |
T-68-3651-0 |
| Synonyms |
1-Cyano-1-(ethoxycarbonyl)-2-methylbutyl benzoate
(2-cyano-1-ethoxy-3-methyl-1-oxidanylidene-pentan-2-yl) benzoate
(2-cyano-1-ethoxy-3-methyl-1-oxopentan-2-yl) benzoate
benzoic acid (1-carbethoxy-1-cyano-2-methyl-butyl) ester
benzoic acid (2-cyano-1-ethoxy-3-methyl-1-oxopentan-2-yl) ester |
| Wiley ID |
42598 |
