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3-Methyldibenzo[b,E]thiepin-11(6H)-one
SpectraBase Compound ID 4sCtvtDbB61
InChI InChI=1S/C15H12OS/c1-10-6-7-13-14(8-10)17-9-11-4-2-3-5-12(11)15(13)16/h2-8H,9H2,1H3
InChIKey PTCPDMVNBMWGOM-UHFFFAOYSA-N
Mol Weight 240.32 g/mol
Molecular Formula C15H12OS
Exact Mass 240.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ptWlbA7gxE
Name 3-Methyldibenzo[b,E]thiepin-11(6H)-one
Alternate Name(s) 3-Methyl-6H-benzo[c][1]benzothiepin-11-one Dibenzo[b,E]thiepin-11(6H)-one, 3-methyl-
CAS Registry Number 84964-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12OS
InChI InChI=1S/C15H12OS/c1-10-6-7-13-14(8-10)17-9-11-4-2-3-5-12(11)15(13)16/h2-8H,9H2,1H3
InChIKey PTCPDMVNBMWGOM-UHFFFAOYSA-N
Molecular Weight 240.320 g/mol
SMILES C1(c2c(SCc3c1cccc3)cc(cc2)C)=O
SPLASH splash10-052f-2490000000-4881fc2db10d80d9b854
Source of Spectrum AD-0-2532-0
Wiley ID 1429876