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3-PHENYL-4,1-BENZOXATHIEPIN

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

3-PHENYL-4,1-BENZOXATHIEPIN
SpectraBase Compound ID BPKnrouNhky
InChI InChI=1S/C15H14OS/c1-2-6-12(7-3-1)14-11-17-15-9-5-4-8-13(15)10-16-14/h1-9,14H,10-11H2
InChIKey YMVSSCVHDWLGPG-UHFFFAOYSA-N
Mol Weight 242.34 g/mol
Molecular Formula C15H14OS
Exact Mass 242.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COYH0Cw56jQ
Name 3-phenyl-3,5-dihydro-2H-4,1-benzoxathiepin
Alternate Name(s) 3-phenyl-3,5-dihydro-2H-4,1-benzoxathiepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14OS
InChI InChI=1S/C15H14OS/c1-2-6-12(7-3-1)14-11-17-15-9-5-4-8-13(15)10-16-14/h1-9,14H,10-11H2
InChIKey YMVSSCVHDWLGPG-UHFFFAOYSA-N
Molecular Weight 242.336 g/mol
SMILES c12SCC(OCc2cccc1)c1ccccc1
SPLASH splash10-0udi-0920000000-f36c2669ee203cc8c5c4
Source of Spectrum SK-26-4470-18
Wiley ID 867555