| SpectraBase Spectrum ID |
2laOtyBHCaJ |
| Name |
2-Hexenoic acid, 3-methyl-6-(9-methyl-10-oxabicyclo[7.1.0]dec-4-ylidene)-, methyl ester, [1R*,4(E),9S*]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.203844759 u |
| Formula |
C18H28O3 |
| InChI |
InChI=1S/C18H28O3/c1-14(13-17(19)20-3)7-6-9-15-8-4-5-12-18(2)16(21-18)11-10-15/h9,13,16H,4-8,10-12H2,1-3H3/b14-13+,15-9+/t16-,18+/m1/s1 |
| InChIKey |
VVDXDKRYYJTFSM-HLHSGLGPSA-N |
| Molecular Weight |
292.419 g/mol |
| SMILES |
[C@]12(O[C@@]1(CC\C(CCCC2)=C/CC\C(=C\C(=O)OC)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875333 |
![2-Hexenoic acid, 3-methyl-6-(9-methyl-10-oxabicyclo[7.1.0]dec-4-ylidene)-, methyl ester, [1R*,4(E),9S*]-](/api/spectrum/2laOtyBHCaJ/structure.png?h=300&w=458 "2-Hexenoic acid, 3-methyl-6-(9-methyl-10-oxabicyclo[7.1.0]dec-4-ylidene)-, methyl ester, [1R*,4(E),9S*]-")
