rac-(1R,2S,3R,6R,7S,8R)-7,8-dichloro-3-(4-methylbenzenesulfonamido)-bicyclo[4.2.0]oct-4-en-2-yl acetate

SpectraBase Compound ID	FiScmh7e1xA
InChI	InChI=1S/C17H19Cl2NO4S/c1-9-3-5-11(6-4-9)25(22,23)20-13-8-7-12-14(16(19)15(12)18)17(13)24-10(2)21/h3-8,12-17,20H,1-2H3/t12-,13-,14+,15+,16-,17-/m1/s1
InChIKey	SWNRECOOZNPCDU-KOWPAETKSA-N Google Search
Mol Weight	404.31 g/mol
Molecular Formula	C17H19Cl2NO4S
Exact Mass	403.041185 g/mol

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SpectraBase Spectrum ID	3c3onHqeQso
Name	rac-(1R,2S,3R,6R,7S,8R)-7,8-dichloro-3-(4-methylbenzenesulfonamido)-bicyclo[4.2.0]oct-4-en-2-yl acetate
Appearance	White crystals
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H19Cl2NO4S
InChI	InChI=1S/C17H19Cl2NO4S/c1-9-3-5-11(6-4-9)25(22,23)20-13-8-7-12-14(16(19)15(12)18)17(13)24-10(2)21/h3-8,12-17,20H,1-2H3/t12-,13-,14+,15+,16-,17-/m1/s1
InChIKey	SWNRECOOZNPCDU-KOWPAETKSA-N
Ionization Type	EI
Literature Reference DOI	10.3762/bjoc.6.15
Molecular Weight	404.308 g/mol
SMILES	N([C@]1([C@]([C@]2([C@](C=C1)([H])[C@@]([C@@]2(Cl)[H])(Cl)[H])[H])(OC(=O)C)[H])[H])S(c1ccc(C)cc1)(=O)=O
SPLASH	splash10-05fr-9472000000-ad977a59b40e64347f3b
Source of Spectrum	BJO-6-SM7-27
Wiley ID	1871640