| SpectraBase Spectrum ID |
AjChInir77v |
| Name |
Succinic acid, 3-methylbut-2-yl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-14(2)15(3)22-18(20)12-11-17(19)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,14-15H,7,10-13H2,1-3H3 |
| InChIKey |
MNBLNZOXQXAZAS-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(CC(OC(C(C)C)C)=O)C(OCCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892408 |
