| SpectraBase Spectrum ID |
JbAeO77IZFd |
| Name |
Methyl (4R)-4-[1'(S)-4'-methylidenecyclohex-2'-enyl]pentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.146329882 u |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-10-4-7-12(8-5-10)11(2)6-9-13(14)15-3/h4,7,11-12H,1,5-6,8-9H2,2-3H3/t11-,12+/m1/s1 |
| InChIKey |
LYYUYYLVOSLVPF-NEPJUHHUSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
C1=CC(=C)CC[C@]1([C@@](CCC(=O)OC)(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940123 |
![Methyl (4R)-4-[1'(S)-4'-methylidenecyclohex-2'-enyl]pentanoate](/api/spectrum/JbAeO77IZFd/structure.png?h=300&w=458 "Methyl (4R)-4-[1'(S)-4'-methylidenecyclohex-2'-enyl]pentanoate")
