| SpectraBase Spectrum ID |
8pqzWMhAqZi |
| Name |
Sebacic acid, isobutyl 2-phenoxyethyl 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/c1-19(2)18-27-22(24)15-11-6-4-3-5-10-14-21(23)26-17-16-25-20-12-8-7-9-13-20/h7-9,12-13,19H,3-6,10-11,14-18H2,1-2H3 |
| InChIKey |
RCHRYLQSIBPXTK-UHFFFAOYSA-N |
| Molecular Weight |
378.509 g/mol |
| SMILES |
C(CCCCCCC(OCC(C)C)=O)CC(OCCOC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937586 |
