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1-Butanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-4-(phenylsulfonyl)-
SpectraBase Compound ID 6rzi8pYiIU1
InChI InChI=1S/C16H20O4S/c17-14(16-11-5-4-10-15(16)20-16)9-6-12-21(18,19)13-7-2-1-3-8-13/h1-3,7-8,15H,4-6,9-12H2
InChIKey WIYZKDWYJUMWKC-UHFFFAOYSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AcdSb0xUT3
Name 1-Butanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-4-(phenylsulfonyl)-
Alternate Name(s) 7-Oxabicyclo[4.1.0]heptane, 1-butanone deriv. 1-(1,2-Epoxycyclohexyl)-4-(phenylsulfonyl)-1-butanone 1-(7-oxabicyclo[4.1.0]hept-1-yl)-4-(phenylsulfonyl)-1-butanone
CAS Registry Number 127257-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c17-14(16-11-5-4-10-15(16)20-16)9-6-12-21(18,19)13-7-2-1-3-8-13/h1-3,7-8,15H,4-6,9-12H2
InChIKey WIYZKDWYJUMWKC-UHFFFAOYSA-N
Molecular Weight 308.392 g/mol
SMILES C12(OC2CCCC1)C(=O)CCCS(=O)(=O)c1ccccc1
SPLASH splash10-01pk-9573000000-86c40d2b662b6c10116c
Source of Spectrum J-55-3965-13
Wiley ID 1309637