Debug Info

object
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_id
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1vNjlTnP87x
spectrumID
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1vNjlTnP87x
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3-(Benzoyloxy)-5-(1'-methylvinyl)-2-methyl-2-chlorocyclohexan-1-one
SpectraBase Compound ID B6KN1dyjpNt
InChI InChI=1S/C17H19ClO3/c1-11(2)13-9-14(19)17(3,18)15(10-13)21-16(20)12-7-5-4-6-8-12/h4-8,13,15H,1,9-10H2,2-3H3
InChIKey DUIRGLAFORWEBW-UHFFFAOYSA-N
Mol Weight 306.79 g/mol
Molecular Formula C17H19ClO3
Exact Mass 306.102272 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vNjlTnP87x
Name 3-(Benzoyloxy)-5-(1'-methylvinyl)-2-methyl-2-chlorocyclohexan-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO3
InChI InChI=1S/C17H19ClO3/c1-11(2)13-9-14(19)17(3,18)15(10-13)21-16(20)12-7-5-4-6-8-12/h4-8,13,15H,1,9-10H2,2-3H3
InChIKey DUIRGLAFORWEBW-UHFFFAOYSA-N
Molecular Weight 306.789 g/mol
SMILES C1(C(OC(=O)c2ccccc2)CC(CC1=O)C(=C)C)(Cl)C
SPLASH splash10-0a4i-2900000000-5a66b75f7797606696de
Source of Spectrum SK-24-2212-13
Synonyms 2-Chloro-5-isopropenyl-2-methyl-3-oxocyclohexyl benzoate Benzoic acid (1R,2S,5S)-2-chloro-5-isopropenyl-2-methyl-3-oxo-cyclohexyl ester
Wiley ID 866328
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