| SpectraBase Spectrum ID |
GIrttDvb4Sb |
| Name |
Adipic acid, isobutyl trans-hex-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.198759378 u |
| Formula |
C16H28O4 |
| InChI |
InChI=1S/C16H28O4/c1-4-5-6-9-12-19-15(17)10-7-8-11-16(18)20-13-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+ |
| InChIKey |
IGRRHMWKAQAQFY-AATRIKPKSA-N |
| SMILES |
C(CCCC(OCC\C=C\CC)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877597 |
