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trans-6-Allyl-5-bromo-4-(phenylthio)-1-tosyl-5,6-dihydropyridin-2(1H)-one
SpectraBase Compound ID Eh5queMcYE5
InChI InChI=1S/C21H20BrNO3S2/c1-3-7-18-21(22)19(27-16-8-5-4-6-9-16)14-20(24)23(18)28(25,26)17-12-10-15(2)11-13-17/h3-6,8-14,18,21H,1,7H2,2H3/t18-,21-/m0/s1
InChIKey AAOJBOKRBZXCHI-RXVVDRJESA-N
Mol Weight 478.42 g/mol
Molecular Formula C21H20BrNO3S2
Exact Mass 477.006799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FE1Y9824c0M
Name trans-6-Allyl-5-bromo-4-(phenylthio)-1-tosyl-5,6-dihydropyridin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20BrNO3S2
InChI InChI=1S/C21H20BrNO3S2/c1-3-7-18-21(22)19(27-16-8-5-4-6-9-16)14-20(24)23(18)28(25,26)17-12-10-15(2)11-13-17/h3-6,8-14,18,21H,1,7H2,2H3/t18-,21-/m0/s1
InChIKey AAOJBOKRBZXCHI-RXVVDRJESA-N
Molecular Weight 478.419 g/mol
SMILES c1(S(N2C(C=C([C@]([C@@]2(CC=C)[H])(Br)[H])Sc2ccccc2)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0fur-4311900000-bd96a5e451a5f0d08f03
Source of Spectrum F-70-1851-3b
Synonyms (5S,6S)-6-allyl-5-bromo-4-(phenylthio)-1-tosyl-5,6-dihydropyridin-2(1H)-one
Wiley ID 1742665