| SpectraBase Spectrum ID |
mcvtOpgRRl |
| Name |
2-[(1S)-4-Methyl-3-cyclohexen-1-yl]propyl-3-methylbutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.193280075 u |
| Formula |
C15H26O2 |
| InChI |
InChI=1S/C15H26O2/c1-11(2)9-15(16)17-10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3/t13?,14-/m1/s1 |
| InChIKey |
VJJQDACGAQKNSG-ARLHGKGLSA-N |
| Molecular Weight |
238.371 g/mol |
| SMILES |
C(CC(C)C)(=O)OCC(C)[C@]1(CCC(=CC1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973204 |
![2-[(1S)-4-methyl-3-cyclohexen-1-yl]propyl-3-methylbutanoate](/api/spectrum/mcvtOpgRRl/structure.png?h=300&w=458 "2-[(1S)-4-methyl-3-cyclohexen-1-yl]propyl-3-methylbutanoate")
