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2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-2-benzazepin-1-one
SpectraBase Compound ID JcTg7Y7czyp
InChI InChI=1S/C17H17NO3S/c1-13-8-10-15(11-9-13)22(20,21)18-12-4-6-14-5-2-3-7-16(14)17(18)19/h2-3,5,7-11H,4,6,12H2,1H3
InChIKey XRAYIYHJVOPYHF-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C17H17NO3S
Exact Mass 315.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ly6jEA9PL4r
Name 2-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-2-benzazepin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C17H17NO3S
InChI InChI=1S/C17H17NO3S/c1-13-8-10-15(11-9-13)22(20,21)18-12-4-6-14-5-2-3-7-16(14)17(18)19/h2-3,5,7-11H,4,6,12H2,1H3
InChIKey XRAYIYHJVOPYHF-UHFFFAOYSA-N
Molecular Weight 315.387 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)CCCc2c1cccc2)=O
SPLASH splash10-0f6x-0940000000-3e3197342ce0041196e9
Source of Spectrum C4-32-155-7
Synonyms 2-(p-tolylsulfonyl)-4,5-dihydro-3H-2-benzazepin-1-one 2-tosyl-4,5-dihydro-3H-2-benzazepin-1-one
Wiley ID 1520129