| SpectraBase Spectrum ID |
2R6y6nttqw4 |
| Name |
Succinic acid, 2-methylbenzyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-3-4-7-12-20-16(18)10-11-17(19)21-13-15-9-6-5-8-14(15)2/h5-6,8-9H,3-4,7,10-13H2,1-2H3 |
| InChIKey |
UOLMWVQLOGLBTA-UHFFFAOYSA-N |
| SMILES |
C(CCC(OCC=1C(C)=CC=CC1)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940895 |
