| SpectraBase Spectrum ID |
FF5kdf2QSps |
| Name |
(2S,6S)-(2,6-Dimethylcyclihexylidene)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
138.104465070 u |
| Formula |
C9H14O |
| InChI |
InChI=1S/C9H14O/c1-7-4-3-5-8(2)9(7)6-10/h7-8H,3-5H2,1-2H3/t7-,8-/m0/s1 |
| InChIKey |
BISXHHYMPYNRLB-YUMQZZPRSA-N |
| Molecular Weight |
138.210 g/mol |
| SMILES |
C1(=C=O)[C@](CCC[C@@]1(C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837859 |
