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(S)-6-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-3,4-DIHYDRO-1H-AZEPIN-2(7H)-ONE

View entire compound with spectra: 1 NMR

(S)-6-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-3,4-DIHYDRO-1H-AZEPIN-2(7H)-ONE
SpectraBase Compound ID 4ITbEWfpWvd
InChI InChI=1S/C18H19F3N2O4S/c19-18(20,21)28(26,27)23-10-15(14-2-1-3-17(25)22-9-14)8-16(23)13-6-4-12(11-24)5-7-13/h2,4-8,16,24H,1,3,9-11H2,(H,22,25)/t16-/m0/s1
InChIKey ODDQOMHBUVXTQM-INIZCTEOSA-N
Mol Weight 416.42 g/mol
Molecular Formula C18H19F3N2O4S
Exact Mass 416.101763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I3wSSC9zqpl
Name (S)-6-[5-[4-(HYDROXYMETHYL)-PHENYL]-1-(TRIFLUOROMETHYLSULFONYL)-2,5-DIHYDRO-1H-PYRROL-3-YL]-3,4-DIHYDRO-1H-AZEPIN-2(7H)-ONE
Compound Number 48
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19F3N2O4S
InChI InChI=1S/C18H19F3N2O4S/c19-18(20,21)28(26,27)23-10-15(14-2-1-3-17(25)22-9-14)8-16(23)13-6-4-12(11-24)5-7-13/h2,4-8,16,24H,1,3,9-11H2,(H,22,25)/t16-/m0/s1
InChIKey ODDQOMHBUVXTQM-INIZCTEOSA-N
Literature Reference Author S.K.MAURYA,M.DOW,S.WARRINER,A.NELSON
Literature Reference Citation BEIL.J.ORG.CHEM.,9,775(2013)
Literature Reference DOI 10.3762/bjoc.9.88
Molecular Weight 416.415 g/mol
Solvent CD3OD
Source File Reference UWLU77351