| SpectraBase Spectrum ID |
7wLRQUOIkSC |
| Name |
Succinic acid, isobutyl 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/c1-13(2)12-20-16(18)9-8-15(17)19-11-10-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3 |
| InChIKey |
MIPYYWIFVZWQMN-UHFFFAOYSA-N |
| Molecular Weight |
278.348 g/mol |
| SMILES |
C(C(OCCC1=CC=CC=C1)=O)CC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864538 |
