| SpectraBase Spectrum ID |
CL5kvSdZxle |
| Name |
Adipic acid, butyl pent-4-en-2-yl 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/c1-4-6-12-18-14(16)10-7-8-11-15(17)19-13(3)9-5-2/h5,13H,2,4,6-12H2,1,3H3 |
| InChIKey |
FORLKMRJCQLQRG-UHFFFAOYSA-N |
| Molecular Weight |
270.369 g/mol |
| SMILES |
C(CCC(OC(C)CC=C)=O)CC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80055 |
