| SpectraBase Spectrum ID |
HxxDUtn66Hf |
| Name |
Succinic acid, butyl 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-2-3-12-19-15(17)9-10-16(18)20-13-11-14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3 |
| InChIKey |
HYCKQTMGWYVZLF-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(CCC(OCCC1=CC=CC=C1)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944839 |
