| SpectraBase Spectrum ID |
6PvOceEEPDF |
| Name |
Sebacic acid, isobutyl pent-4-en-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-5-12-17(4)23-19(21)14-11-9-7-6-8-10-13-18(20)22-15-16(2)3/h5,16-17H,1,6-15H2,2-4H3 |
| InChIKey |
IRACLSLDWMQWFK-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCC(OC(C)CC=C)=O)CCCCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983342 |
