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3-HYDROXY-4,4-DIMETHYL-3-(1-METHYL-3-OXOBUT-1-ENYL)CYCLOHEPTANONE
SpectraBase Compound ID 6iWJYINIiwq
InChI InChI=1S/C14H22O3/c1-10(8-11(2)15)14(17)9-12(16)6-5-7-13(14,3)4/h8,17H,5-7,9H2,1-4H3/b10-8+
InChIKey BUHWWICPKIKVBG-CSKARUKUSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GH4AK1hIdQ9
Name 3-Hydroxy-4,4-dimethyl-3-[(1E)-1-methyl-3-oxo-1-butenyl]cycloheptanone
Alternate Name(s) 3-Hydroxy-3-[(E)-3-keto-1-methyl-but-1-enyl]-4,4-dimethyl-cycloheptanone 3-Hydroxy-4,4-dimethyl-3-[(E)-1-methyl-3-oxo-but-1-enyl]cycloheptanone 3-Hydroxy-4,4-dimethyl-3-[(E)-4-oxopent-2-en-2-yl]-1-cycloheptanone 3-Hydroxy-4,4-dimethyl-3-[(E)-4-oxopent-2-en-2-yl]cycloheptan-1-one 4,4-Dimethyl-3-oxidanyl-3-[(E)-4-oxidanylidenepent-2-en-2-yl]cycloheptan-1-one
CAS Registry Number 125257-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-10(8-11(2)15)14(17)9-12(16)6-5-7-13(14,3)4/h8,17H,5-7,9H2,1-4H3/b10-8+
InChIKey BUHWWICPKIKVBG-CSKARUKUSA-N
Molecular Weight 238.327 g/mol
SMILES OC1(C(CCCC(C1)=O)(C)C)\C(C)=C\C(=O)C
SPLASH splash10-03di-4900000000-14d6db1dcbaaf91d1b7d
Source of Spectrum H-72-942-21
Wiley ID 1240802