| SpectraBase Spectrum ID |
GskE6hdkVDV |
| Name |
Sebacic acid, isobutyl 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/c1-18(2)16-26-21(23)14-8-6-4-5-7-9-15-22(24)27-17-19-12-10-11-13-20(19)25-3/h10-13,18H,4-9,14-17H2,1-3H3 |
| InChIKey |
VQPPLCUWSPBVPD-UHFFFAOYSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
C(CCCCCCC(OCC(C)C)=O)CC(OCC=1C(OC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945972 |
