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PLGCRTMBHPGTEZ-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

PLGCRTMBHPGTEZ-UHFFFAOYSA-N
SpectraBase Compound ID 64pGWSwipe6
InChI InChI=1S/C16H15FN2O3S/c1-23(21,22)19-14-5-3-2-4-13(14)18-16(20)10-15(19)11-6-8-12(17)9-7-11/h2-9,15H,10H2,1H3,(H,18,20)
InChIKey PLGCRTMBHPGTEZ-UHFFFAOYSA-N
Mol Weight 334.37 g/mol
Molecular Formula C16H15FN2O3S
Exact Mass 334.078742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lmabmo48yG
Name 4-(4-fluorophenyl)-5-mesyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Alternate Name(s) 4-(4-fluorophenyl)-5-methylsulfonyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15FN2O3S
InChI InChI=1S/C16H15FN2O3S/c1-23(21,22)19-14-5-3-2-4-13(14)18-16(20)10-15(19)11-6-8-12(17)9-7-11/h2-9,15H,10H2,1H3,(H,18,20)
InChIKey PLGCRTMBHPGTEZ-UHFFFAOYSA-N
Molecular Weight 334.365 g/mol
SMILES N1C(CC(N(c2c1cccc2)S(=O)(=O)C)c1ccc(cc1)F)=O
SPLASH splash10-01ot-0984000000-18956174c1ea52a0110c
Source of Spectrum KC-0-3480-3
Wiley ID 829691