| SpectraBase Spectrum ID |
Byio5HORycJ |
| Name |
1-((1S,6S)-2,2,6-trimethylcyclohexyl)but-3-en-1-one |
| Classification |
Ketones |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
194.167065327 u |
| Formula |
C13H22O |
| InChI |
InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,10,12H,1,6-9H2,2-4H3/t10-,12+/m0/s1 |
| InChIKey |
YWGHYJBSPMYUGM-CMPLNLGQSA-N |
| Molecular Weight |
194.318 g/mol |
| Number of Peaks |
16 |
| SMILES |
C1([C@]([C@](CCC1)(C)[H])(C(=O)CC=C)[H])(C)C |
| SPLASH |
splash10-016r-9800000000-22b9b3b9fb171d216e27 |
| Source of Spectrum |
FF-19-124-(1S,6S)_20 (DOI: 10.1002/ffj.1280) |
| Wiley ID |
1775342 |
