| SpectraBase Spectrum ID |
5PZjnOSB2qn |
| Name |
Sebacic acid, isobutyl 4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.240624190 u |
| Formula |
C22H34O5 |
| InChI |
InChI=1S/C22H34O5/c1-18(2)16-26-21(23)10-8-6-4-5-7-9-11-22(24)27-17-19-12-14-20(25-3)15-13-19/h12-15,18H,4-11,16-17H2,1-3H3 |
| InChIKey |
OAYKJJBCVAKERL-UHFFFAOYSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974501 |
