| SpectraBase Spectrum ID |
5TF4YTcEysT |
| Name |
4(1H)-Phenanthrenone, dodecahydro-, (4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)-(.+-.)- |
| Alternate Name(s) |
(+-)-Perhydrophenanthren-4-one
(4aR,4bR,8aS,10aS)-dodecahydro-4(1H)-phenanthrenone |
| CAS Registry Number |
79237-54-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c15-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h10-12,14H,1-9H2/t10-,11-,12+,14+/m0/s1 |
| InChIKey |
QNZYRGDWNIMNNI-CIQGVGRVSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
[C@@]12([C@]3([C@](CCCC3)([H])CC[C@@]1(CCCC2=O)[H])[H])[H] |
| SPLASH |
splash10-08fr-0980000000-1ba7f43ad0b371ab8cf4 |
| Source of Spectrum |
KC-1981-2252-0 |
| Wiley ID |
1205093 |
