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4,4-dimethyl-1,5-dihydro-3-benzothiepin-2-one

View entire compound with spectra: 1 MS (GC)

4,4-dimethyl-1,5-dihydro-3-benzothiepin-2-one
SpectraBase Compound ID 6UFyu1vdAHI
InChI InChI=1S/C12H14OS/c1-12(2)8-10-6-4-3-5-9(10)7-11(13)14-12/h3-6H,7-8H2,1-2H3
InChIKey GMYOGTBHBHWPEA-UHFFFAOYSA-N
Mol Weight 206.3 g/mol
Molecular Formula C12H14OS
Exact Mass 206.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5N245NiHiD0
Name 4,4-dimethyl-1,5-dihydro-3-benzothiepin-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14OS
InChI InChI=1S/C12H14OS/c1-12(2)8-10-6-4-3-5-9(10)7-11(13)14-12/h3-6H,7-8H2,1-2H3
InChIKey GMYOGTBHBHWPEA-UHFFFAOYSA-N
Molecular Weight 206.303 g/mol
SMILES C1(SC(Cc2ccccc2C1)(C)C)=O
SPLASH splash10-001i-0910000000-28ddf4c6a3b5e2431d25
Source of Spectrum J-61-1862-9
Wiley ID 1204336