| SpectraBase Spectrum ID |
lQfdCvtZC0 |
| Name |
1,5-Heptadien-4-one, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14H,4,6-8,10H2,1-3H3/t14-/m0/s1 |
| InChIKey |
LRDZCBICVMXPBB-AWEZNQCLSA-N |
| Molecular Weight |
218.340 g/mol |
| SMILES |
C(CC(C=C(C)C)=O)([C@]1(CC=C(CC1)C)[H])=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827876 |
