| SpectraBase Spectrum ID |
Kul67zxvYqf |
| Name |
Adipic acid, propyl 2-propylphenyl 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/c1-3-9-15-10-5-6-11-16(15)22-18(20)13-8-7-12-17(19)21-14-4-2/h5-6,10-11H,3-4,7-9,12-14H2,1-2H3 |
| InChIKey |
JHYISXQTPOIEPC-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(CCCC(OC=1C(CCC)=CC=CC1)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891687 |
