| SpectraBase Spectrum ID |
6q6oCWz1OyR |
| Name |
(E)-4-[(1R,2R,3R)-3-chloranyl-2,6,6-trimethyl-2-oxidanyl-cyclohexyl]but-3-en-2-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H21ClO2 |
| InChI |
InChI=1S/C13H21ClO2/c1-9(15)5-6-10-12(2,3)8-7-11(14)13(10,4)16/h5-6,10-11,16H,7-8H2,1-4H3/b6-5+/t10-,11-,13-/m1/s1 |
| InChIKey |
LIUWQTSAPPFDMG-BYNAWZOMSA-N |
| Molecular Weight |
244.762 g/mol |
| SMILES |
O[C@@]1([C@](\C=C\C(=O)C)(C(C)(C)CC[C@]1(Cl)[H])[H])C |
| SPLASH |
splash10-004i-0900000000-0a190c0654cc441636f5 |
| Source of Spectrum |
KC-0-276-8 |
| Synonyms |
(E)-4-[(1R,2R,3R)-3-chloro-2-hydroxy-2,6,6-trimethyl-cyclohexyl]but-3-en-2-one
(E)-4-[(1R,2R,3R)-3-chloro-2-hydroxy-2,6,6-trimethylcyclohexyl]-3-buten-2-one |
| Wiley ID |
827373 |
![(E)-4-[(1R,2R,3R)-3-chloranyl-2,6,6-trimethyl-2-oxidanyl-cyclohexyl]but-3-en-2-one](/api/spectrum/6q6oCWz1OyR/structure.png?h=300&w=458 "(E)-4-[(1R,2R,3R)-3-chloranyl-2,6,6-trimethyl-2-oxidanyl-cyclohexyl]but-3-en-2-one")
