| SpectraBase Spectrum ID |
DOTiyjV2DhG |
| Name |
Benzenepentanoic acid, 3-cyano-.gamma.-methyl-.delta.-oxo-, methyl ester |
| Alternate Name(s) |
Methyl 4-methyl-5-oxo-5(3'-cyano)phenylpentanoate
Methyl 5-(3-cyanophenyl)-4-methyl-5-oxopentanoate |
| CAS Registry Number |
86042-89-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H15NO3 |
| InChI |
InChI=1S/C14H15NO3/c1-10(6-7-13(16)18-2)14(17)12-5-3-4-11(8-12)9-15/h3-5,8,10H,6-7H2,1-2H3 |
| InChIKey |
XZBJPBZIGGDMGJ-UHFFFAOYSA-N |
| Molecular Weight |
245.278 g/mol |
| SMILES |
C(c1cc(C#N)ccc1)(=O)C(CCC(=O)OC)C |
| SPLASH |
splash10-001i-2920000000-6eb7c3e68e055453bf6c |
| Source of Spectrum |
F-40-753-0 |
| Wiley ID |
1247999 |
