| SpectraBase Spectrum ID |
1Yr6awLsZhS |
| Name |
Benzenebutanoic acid, ethyl ester |
| Alternate Name(s) |
Butyric acid, 4-phenyl-, ethyl ester
Ethyl 4-phenylbutanoate
4-Phenylbutanoic acid ethyl ester
4-Phenylbutyric acid ethyl ester
Ethyl 4-phenylbutyrate
Ethyl benzenebutanoate
Ethyl gamma-phenylbutyrate
AI3-34131
FEMA NO. 2453 |
| CAS Registry Number |
10031-93-3 |
| Comments |
Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1556058 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3 |
| InChIKey |
GGFNXKFGVQQNRV-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
C(=O)(OCC)CCCc1ccccc1 |
| SPLASH |
splash10-0f6x-3900000000-4f2590918c65f11a591f |
| Source of Spectrum |
E2-51-185-21 |
| Wiley ID |
1821255 |
