![1-[(1R,2R)-2-methylcyclohexyl]ethanone](/api/spectrum/4vn0oHfnuEh/structure.png?h=300&w=458 "1-[(1R,2R)-2-methylcyclohexyl]ethanone")
| SpectraBase Compound ID | 1Oj3qtocLNK |
|---|---|
| InChI | InChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1 |
| InChIKey | VZELQXKHIHNPLU-VXNVDRBHSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4vn0oHfnuEh |
|---|---|
| Name | 1-[(1R,2R)-2-Methylcyclohexyl]ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h7,9H,3-6H2,1-2H3/t7-,9-/m1/s1 |
| InChIKey | VZELQXKHIHNPLU-VXNVDRBHSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | [C@@]1(C(=O)C)([C@](C)(CCCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9745 |