| SpectraBase Spectrum ID |
2BiQzsCPLOo |
| Name |
Sebacic acid, tetrahydrofurfuryl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.240624190 u |
| Formula |
C19H34O5 |
| InChI |
InChI=1S/C19H34O5/c1-16(2)14-23-18(20)11-7-5-3-4-6-8-12-19(21)24-15-17-10-9-13-22-17/h16-17H,3-15H2,1-2H3 |
| InChIKey |
WRBACYGWQMVWFF-UHFFFAOYSA-N |
| Molecular Weight |
342.476 g/mol |
| SMILES |
C1(CCCO1)COC(CCCCCCCCC(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988135 |
