| SpectraBase Spectrum ID |
LCrPahdq2Pw |
| Name |
cis-4-(1,1-Dimethylethyl)-2-(hydroxymethyl)cyclohexanone |
| Alternate Name(s) |
(2S,4R)-4-tert-butyl-2-(hydroxymethyl)cyclohexanone |
| CAS Registry Number |
94537-80-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H20O2 |
| InChI |
InChI=1S/C11H20O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h8-9,12H,4-7H2,1-3H3/t8-,9+/m0/s1 |
| InChIKey |
SZZDTDNPGYRNHA-DTWKUNHWSA-N |
| Molecular Weight |
184.279 g/mol |
| SMILES |
OC[C@]1(C(CC[C@](C1)(C(C)(C)C)[H])=O)[H] |
| SPLASH |
splash10-0a4i-9000000000-eaff9ccc0025eca0ac19 |
| Source of Spectrum |
C-107-2082-0 |
| Wiley ID |
1180937 |
