| SpectraBase Spectrum ID |
BcBWsNfE8m3 |
| Name |
(E)-4-[(1R,4S,6R)-1,4-dihydroxy-2,2,6-trimethyl-cyclohexyl]but-3-en-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9,11,15-16H,7-8H2,1-4H3/b6-5+/t9-,11+,13+/m1/s1 |
| InChIKey |
CWLKAPCFJXJCEO-FKAWOFAZSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
O[C@@]1(CC([C@@]([C@@](C1)(C)[H])(\C=C\C(=O)C)O)(C)C)[H] |
| SPLASH |
splash10-06r6-9600000000-4074e14feb0c6c230aae |
| Source of Spectrum |
G4-61-595-16 |
| Synonyms |
(E)-4-[(1R,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-buten-2-one
(E)-4-[(1R,4S,6R)-2,2,6-trimethyl-1,4-bis(oxidanyl)cyclohexyl]but-3-en-2-one |
| Wiley ID |
1607245 |
