| SpectraBase Spectrum ID |
KzzQMWoNpgj |
| Name |
Sebacic acid, 2,3-dimethylphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-4-23-19(21)14-9-7-5-6-8-10-15-20(22)24-18-13-11-12-16(2)17(18)3/h11-13H,4-10,14-15H2,1-3H3 |
| InChIKey |
CRGYPJGRJWOECR-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(CCCCC(OC1=C(C(C)=CC=C1)C)=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963029 |
