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4,5-Dihydro-6-(phenylsulfinyl)-3-(phenylsulfonyl)-1(H)-1,2-diazepine
SpectraBase Compound ID JsCK2XbT5Hr
InChI InChI=1S/C17H16N2O3S2/c20-23(14-7-3-1-4-8-14)15-11-12-17(19-18-13-15)24(21,22)16-9-5-2-6-10-16/h1-10,13,18H,11-12H2
InChIKey GULUFZJVXWOQET-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C17H16N2O3S2
Exact Mass 360.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1hTO5e5pCi
Name 4,5-Dihydro-6-(phenylsulfinyl)-3-(phenylsulfonyl)-1(H)-1,2-diazepine
Alternate Name(s) 6-(Phenylsulfinyl)-3-(phenylsulfonyl)-4,5-dihydro-1H-1,2-diazepine phenyl 6-(phenylsulfinyl)-4,5-dihydro-1H-1,2-diazepin-3-yl sulfone
CAS Registry Number 105858-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O3S2
InChI InChI=1S/C17H16N2O3S2/c20-23(14-7-3-1-4-8-14)15-11-12-17(19-18-13-15)24(21,22)16-9-5-2-6-10-16/h1-10,13,18H,11-12H2
InChIKey GULUFZJVXWOQET-UHFFFAOYSA-N
Molecular Weight 360.446 g/mol
SMILES N1C=C(CCC(=N1)S(=O)(=O)c1ccccc1)S(=O)c1ccccc1
SPLASH splash10-004i-9400000000-5620213e0654eb574832
Source of Spectrum K-120-174-11
Wiley ID 1348113