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2-(1,3-Benzodioxol-5-yl)cyclohexanone
SpectraBase Compound ID Fp97kvkqVfY
InChI InChI=1S/C13H14O3/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h5-7,10H,1-4,8H2
InChIKey KHSPYLWIVAFDKD-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wE5NWCAaPk
Name 2-(1,3-Benzodioxol-5-yl)cyclohexanone
CAS Registry Number 42866-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c14-11-4-2-1-3-10(11)9-5-6-12-13(7-9)16-8-15-12/h5-7,10H,1-4,8H2
InChIKey KHSPYLWIVAFDKD-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES c1(cc2OCOc2cc1)C1C(=O)CCCC1
SPLASH splash10-0159-1930000000-cdcb9a598a342d6ecdd5
Source of Spectrum SO-0-847-4
Synonyms 2-(1,3-benzodioxol-5-yl)-1-cyclohexanone 2-(1,3-benzodioxol-5-yl)cyclohexan-1-one 2-(3,4-Methylenedioxyphenyl)cyclohexanone
Wiley ID 863899