| SpectraBase Spectrum ID |
HWjG3MS7gsI |
| Name |
Sebacic acid, isobutyl phenyl 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/c1-17(2)16-23-19(21)14-10-5-3-4-6-11-15-20(22)24-18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3 |
| InChIKey |
KDKJNCBFFVINCP-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874966 |
