| SpectraBase Spectrum ID |
KKVcew3MC09 |
| Name |
Glutraic acid, cis-non-3-enyl isobutyl 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/c1-4-5-6-7-8-9-10-14-21-17(19)12-11-13-18(20)22-15-16(2)3/h8-9,16H,4-7,10-15H2,1-3H3/b9-8- |
| InChIKey |
ZQZAYIVGAFRBHP-HJWRWDBZSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(\C=C/CCCCC)COC(CCCC(=O)OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83123 |
