| SpectraBase Spectrum ID |
EUItef0wYWE |
| Name |
Adipic acid, propyl 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 |
270.183109313 u |
| Formula |
C15H26O4 |
| InChI |
InChI=1S/C15H26O4/c1-3-5-6-9-13-19-15(17)11-8-7-10-14(16)18-12-4-2/h5-6H,3-4,7-13H2,1-2H3/b6-5+ |
| InChIKey |
LDUPTVVUACLBMO-AATRIKPKSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(CCCC(OCC\C=C\CC)=O)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98341 |
