| SpectraBase Spectrum ID |
4WK7QtGreAr |
| Name |
2-Pentenoic acid, 5-[(1,5-dimethyl-4-hexenyl)oxy]-3-methyl-, ethyl ester, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.203844759 u |
| Formula |
C16H28O3 |
| InChI |
InChI=1S/C16H28O3/c1-6-18-16(17)12-14(4)10-11-19-15(5)9-7-8-13(2)3/h8,12,15H,6-7,9-11H2,1-5H3/b14-12+ |
| InChIKey |
RBPZFPNXTKJBDL-WYMLVPIESA-N |
| SMILES |
C(\C(=C\C(OCC)=O)C)COC(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962403 |
![2-Pentenoic acid, 5-[(1,5-dimethyl-4-hexenyl)oxy]-3-methyl-, ethyl ester, (E)-](/api/spectrum/4WK7QtGreAr/structure.png?h=300&w=458 "2-Pentenoic acid, 5-[(1,5-dimethyl-4-hexenyl)oxy]-3-methyl-, ethyl ester, (E)-")
