(3S,4S)-4-[1-(4-Bromophenyl)ethenyl]-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol

SpectraBase Compound ID	KaOIcmCSaTt
InChI	InChI=1S/C19H20BrNO3S/c1-13-3-9-17(10-4-13)25(23,24)21-11-18(19(22)12-21)14(2)15-5-7-16(20)8-6-15/h3-10,18-19,22H,2,11-12H2,1H3/t18-,19-/m1/s1
InChIKey	KQDBKKDUWYFQHG-RTBURBONSA-N Google Search
Mol Weight	422.34 g/mol
Molecular Formula	C19H20BrNO3S
Exact Mass	421.034728 g/mol

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SpectraBase Spectrum ID	IdK6YDTrAVj
Name	(3S,4S)-4-[1-(4-Bromophenyl)ethenyl]-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol
Alternate Name(s)	(3S,4S)-4-(1-(4-bromophenyl)vinyl)-1-tosylpyrrolidin-3-ol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H20BrNO3S
InChI	InChI=1S/C19H20BrNO3S/c1-13-3-9-17(10-4-13)25(23,24)21-11-18(19(22)12-21)14(2)15-5-7-16(20)8-6-15/h3-10,18-19,22H,2,11-12H2,1H3/t18-,19-/m1/s1
InChIKey	KQDBKKDUWYFQHG-RTBURBONSA-N
Literature Reference DOI	10.1021/ol702966j
Molecular Weight	422.337 g/mol
SMILES	O[C@@]1(CN(S(c2ccc(cc2)C)(=O)=O)C[C@@]1(C(c1ccc(cc1)Br)=C)[H])[H]
SPLASH	splash10-014l-4390100000-5bef3b2349871b40b98e
Source of Spectrum	A1-10-1047/SMS22-2aG
Wiley ID	1759107