| SpectraBase Spectrum ID |
LRyUTvRIBR2 |
| Name |
Sebacic acid, 3-methylbut-2-enyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-4-14-21-17(19)11-9-7-5-6-8-10-12-18(20)22-15-13-16(2)3/h13H,4-12,14-15H2,1-3H3 |
| InChIKey |
XDRCCTVUZJZOLT-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCCCC(OCC=C(C)C)=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.993373 |
