| SpectraBase Spectrum ID |
Fy4uLXaHC9b |
| Name |
Sebacic acid, 2-methoxyethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.240624190 u |
| Formula |
C18H34O5 |
| InChI |
InChI=1S/C18H34O5/c1-3-4-11-14-22-17(19)12-9-7-5-6-8-10-13-18(20)23-16-15-21-2/h3-16H2,1-2H3 |
| InChIKey |
SCEBLKKEFJPTIF-UHFFFAOYSA-N |
| Molecular Weight |
330.465 g/mol |
| SMILES |
C(OC(CCCCCCCCC(OCCCCC)=O)=O)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947107 |
