| SpectraBase Spectrum ID |
A918NFM7K5x |
| Name |
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
152.120115134 u |
| Formula |
C10H16O |
| InChI |
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3/t9-/m0/s1 |
| InChIKey |
WPGPCDVQHXOMQP-VIFPVBQESA-N |
| Molecular Weight |
152.237 g/mol |
| SMILES |
CC(C)[C@@]1(CC(=O)C(=CC1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950357 |
