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Cyclohexanone, 4-hydroxy-4-(5-hydroxy-3-methyl-3-penten-1-ynyl)-3,3,5-trimethyl-, [4R-[4.alpha.,4(Z),5.alpha.]]-
SpectraBase Compound ID GaLr3f5TfFb
InChI InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,12,16,18H,8-10H2,1-4H3/b11-6-/t12-,15-/m1/s1
InChIKey WORLVFQFRWYCAV-RCLYDWMDSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdG3w5ObnKX
Name Cyclohexanone, 4-hydroxy-4-(5-hydroxy-3-methyl-3-penten-1-ynyl)-3,3,5-trimethyl-, [4R-[4.alpha.,4(Z),5.alpha.]]-
Alternate Name(s) (4R,5R)-4-hydroxy-4-[(3Z)-5-hydroxy-3-methyl-3-penten-1-ynyl]-3,3,5-trimethylcyclohexanone 4(Z)-(4R,5R)-4-hydroxy-4-(5-acetoxy-3-methylpent-3-en-1-ynyl)-3,3,5-trimethylcyclohexanone
CAS Registry Number 130694-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,12,16,18H,8-10H2,1-4H3/b11-6-/t12-,15-/m1/s1
InChIKey WORLVFQFRWYCAV-RCLYDWMDSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@@]1(C#C\C(=C/CO)C)C(CC(C[C@]1(C)[H])=O)(C)C
SPLASH splash10-0aor-0900000000-2fe80b3cd64dd9825555
Source of Spectrum I-68-1158-7
Wiley ID 1253685