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1,4-Dithiepan-2-one, 3-phenyl-

View entire compound with spectra: 3 MS (GC)

1,4-Dithiepan-2-one, 3-phenyl-
SpectraBase Compound ID 4LYZOJSZotc
InChI InChI=1S/C11H12OS2/c12-11-10(13-7-4-8-14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey DHQDQGGFLCDOMC-UHFFFAOYSA-N
Mol Weight 224.34 g/mol
Molecular Formula C11H12OS2
Exact Mass 224.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hy6BWDHZNco
Name 1,4-Dithiepan-2-one, 3-phenyl-
CAS Registry Number 70068-10-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12OS2
InChI InChI=1S/C11H12OS2/c12-11-10(13-7-4-8-14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey DHQDQGGFLCDOMC-UHFFFAOYSA-N
Molecular Weight 224.336 g/mol
SMILES C1(SCCCSC1c1ccccc1)=O
SPLASH splash10-014i-3900000000-1b35ca2d3c6d79cb79b2
Source of Spectrum H-61-3095-0
Synonyms 3-Phenyl-1,4-dithiepan-2-one
Wiley ID 1224664