| SpectraBase Spectrum ID |
4nVHX50Kprb |
| Name |
Sebacic acid, 3-oxobut-2-yl pentyl 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/c1-4-5-12-15-23-18(21)13-10-8-6-7-9-11-14-19(22)24-17(3)16(2)20/h17H,4-15H2,1-3H3 |
| InChIKey |
DPPUDCSLCKUWAE-UHFFFAOYSA-N |
| Molecular Weight |
342.476 g/mol |
| SMILES |
C(OC(CCCCCCCCC(OCCCCC)=O)=O)(C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800299 |
