| SpectraBase Spectrum ID |
8f4eSb9MNy0 |
| Name |
Sebacic acid, butyl 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/c1-3-4-17-26-21(23)11-9-7-5-6-8-10-12-22(24)27-18-19-13-15-20(25-2)16-14-19/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey |
QRMJOVYSPSTNNW-UHFFFAOYSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930173 |
