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(5E)-7-(1-Hydroxy-2-cyclohepten-1-yl)-2,2-dimethyl-5-hepten-3-one
SpectraBase Compound ID JxMnBI69m9l
InChI InChI=1S/C16H26O2/c1-15(2,3)14(17)10-6-9-13-16(18)11-7-4-5-8-12-16/h6-7,9,11,18H,4-5,8,10,12-13H2,1-3H3/b9-6+
InChIKey YYZKXCFJFYFSPB-RMKNXTFCSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3oIGZON9Kf
Name (5E)-7-(1-Hydroxy-2-cyclohepten-1-yl)-2,2-dimethyl-5-hepten-3-one
CAS Registry Number 83040-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-15(2,3)14(17)10-6-9-13-16(18)11-7-4-5-8-12-16/h6-7,9,11,18H,4-5,8,10,12-13H2,1-3H3/b9-6+
InChIKey YYZKXCFJFYFSPB-RMKNXTFCSA-N
Molecular Weight 250.382 g/mol
SMILES OC1(CCCCC=C1)C\C=C\CC(=O)C(C)(C)C
SPLASH splash10-0a4l-9500000000-95427233a3e117b25057
Synonyms (E)-2,2-dimethyl-7-(1-oxidanylcyclohept-2-en-1-yl)hept-5-en-3-one (E)-7-(1-hydroxy-1-cyclohept-2-enyl)-2,2-dimethyl-5-hepten-3-one (E)-7-(1-hydroxycyclohept-2-en-1-yl)-2,2-dimethyl-hept-5-en-3-one 7-(1-Hydroxy-cyclohept-2-enyl)-2,2-dimethyl-hept-5-en-3-one
Wiley ID 1482133