| SpectraBase Spectrum ID |
9XVJeU7R1s8 |
| Name |
Sebacic acid, ethyl 2-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-4-24-20(22)15-9-7-5-6-8-10-16-21(23)25-19-14-12-11-13-18(19)17(2)3/h11-14,17H,4-10,15-16H2,1-3H3 |
| InChIKey |
GVHAKGLTSDGHPI-UHFFFAOYSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
C(CCCCCCCC(OC=1C(C(C)C)=CC=CC1)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927947 |
