| SpectraBase Spectrum ID |
4bxjoUXdgpi |
| Name |
Sebacic acid, butyl 2-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/c1-3-4-17-26-21(23)15-9-7-5-6-8-10-16-22(24)27-18-19-13-11-12-14-20(19)25-2/h11-14H,3-10,15-18H2,1-2H3 |
| InChIKey |
DOEHWJDNYQXVHL-UHFFFAOYSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
C(CCCCCCC(OCCCC)=O)CC(OCC=1C(OC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873275 |
