| SpectraBase Spectrum ID |
B73ScvVRO6R |
| Name |
(+/-)-(E)-1-(cis-2,5,6,6-tetramethylcyclohex-2-en-1-yl)-pent-1-en-3-one;(10-methyl-cis-alpha-irone) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.182715392 u |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-6-13(16)9-10-14-11(2)7-8-12(3)15(14,4)5/h7,9-10,12,14H,6,8H2,1-5H3/b10-9+/t12-,14+/m1/s1 |
| InChIKey |
JJCHHEFOILUZAW-MEBOZDAKSA-N |
| Molecular Weight |
220.356 g/mol |
| SMILES |
C(=O)(\C=C\[C@@]1(C([C@](C)(CC=C1C)[H])(C)C)[H])CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89852 |
