| SpectraBase Spectrum ID |
1BQPcejWaTd |
| Name |
Succinic acid, 2-methylphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.120509056 u |
| Formula |
C14H18O4 |
| InChI |
InChI=1S/C14H18O4/c1-3-10-17-13(15)8-9-14(16)18-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3 |
| InChIKey |
VBUOIDUNQIPNTH-UHFFFAOYSA-N |
| Molecular Weight |
250.294 g/mol |
| SMILES |
C(OC1=C(C=CC=C1)C)(=O)CCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863704 |
