(E)-4-[(3S,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]but-3-en-2-one

SpectraBase Compound ID	GFCDT7zj4Xf
InChI	InChI=1S/C13H20O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,11-12,15-16H,7H2,1-4H3/b6-5+/t11-,12-/m0/s1
InChIKey	FXRGLHAKDUTPCV-WTIVYXKASA-N Google Search
Mol Weight	224.3 g/mol
Molecular Formula	C13H20O3
Exact Mass	224.141245 g/mol

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SpectraBase Spectrum ID	ApFy9ajj7qp
Name	(E)-4-[(3S,4S)-2,6,6-trimethyl-3,4-bis(oxidanyl)cyclohexen-1-yl]but-3-en-2-one
CAS Registry Number	130856-73-4
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H20O3
InChI	InChI=1S/C13H20O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,11-12,15-16H,7H2,1-4H3/b6-5+/t11-,12-/m0/s1
InChIKey	FXRGLHAKDUTPCV-WTIVYXKASA-N
Molecular Weight	224.300 g/mol
SMILES	O[C@]1(C(=C(C(C[C@@]1(O)[H])(C)C)\C=C\C(=O)C)C)[H]
SPLASH	splash10-0006-9400000000-f3d1f9960a3a1f5af1c7
Source of Spectrum	H-73-1016-0
Synonyms	(E)-4-[(3S,4S)-3,4-dihydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3-buten-2-one (E)-4-[(3S,4S)-3,4-dihydroxy-2,6,6-trimethyl-cyclohexen-1-yl]but-3-en-2-one
Wiley ID	1225306