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2-Hepten-4-one, 6-hydroxy-2-(4-hydroxy-4-methylcyclohexyl)-6-methyl-
SpectraBase Compound ID 44BUIo3B4vW
InChI InChI=1S/C15H26O3/c1-11(9-13(16)10-14(2,3)17)12-5-7-15(4,18)8-6-12/h9,12,17-18H,5-8,10H2,1-4H3/b11-9+
InChIKey BPAXXAUSVGRLIJ-PKNBQFBNSA-N
Mol Weight 254.37 g/mol
Molecular Formula C15H26O3
Exact Mass 254.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXFeugwpjA3
Name 2-Hepten-4-one, 6-hydroxy-2-(4-hydroxy-4-methylcyclohexyl)-6-methyl-
CAS Registry Number 64825-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O3
InChI InChI=1S/C15H26O3/c1-11(9-13(16)10-14(2,3)17)12-5-7-15(4,18)8-6-12/h9,12,17-18H,5-8,10H2,1-4H3/b11-9+
InChIKey BPAXXAUSVGRLIJ-PKNBQFBNSA-N
Molecular Weight 254.370 g/mol
SMILES OC1(CCC(\C(=C\C(CC(O)(C)C)=O)C)CC1)C
SPLASH splash10-0006-9300000000-0e5666044bc79c398506
Source of Spectrum F-33-1205-0
Synonyms (2E)-6-hydroxy-2-(4-hydroxy-4-methylcyclohexyl)-6-methyl-2-hepten-4-one 3,11-Dihydroxy-2,3,10,11-tetrahydro-atlantone
Wiley ID 1257923