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4-Phenyl-1,5-benzoxathiepin-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Phenyl-1,5-benzoxathiepin-2-one
SpectraBase Compound ID 1UpBNnVDbFN
InChI InChI=1S/C15H12O2S/c16-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)17-15/h1-9,14H,10H2
InChIKey INRFTZOTDKIRFR-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C15H12O2S
Exact Mass 256.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kDUwq75NXn
Name 4-phenyl-3,4-dihydro-1,5-benzoxathiepin-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12O2S
InChI InChI=1S/C15H12O2S/c16-15-10-14(11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)17-15/h1-9,14H,10H2
InChIKey INRFTZOTDKIRFR-UHFFFAOYSA-N
Molecular Weight 256.319 g/mol
SMILES C1(Sc2c(OC(C1)=O)cccc2)c1ccccc1
SPLASH splash10-001i-0910000000-90ea5cb593dc2c15ea07
Source of Spectrum SK-26-4468-10
Wiley ID 867557