| SpectraBase Spectrum ID |
GNGNZ4WQItD |
| Name |
(3S)-Ethyl .beta.-butyryloxy-.beta.-phenylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-3-8-14(16)19-13(11-15(17)18-4-2)12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3/t13-/m0/s1 |
| InChIKey |
HVWVSFXJJMRNBQ-ZDUSSCGKSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
C([C@](OC(=O)CCC)(C=1C=CC=CC1)[H])C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890373 |
