(1S,2S,4S,5R,6S,7R)-5,6-Diacetoxy-8-(E,Z-2'-cyano-2'-tert-butylmercaptoethenyl)-8-aza-3-oxatricyclo[5.2.1.0(2,4)]octane

SpectraBase Compound ID	LLLNjKEeNYe
InChI	InChI=1S/C17H22N2O5S/c1-8(20)22-13-11-12(14-16(24-14)15(13)23-9(2)21)19(11)7-10(6-18)25-17(3,4)5/h7,11-16H,1-5H3/b10-7+/t11-,12+,13+,14+,15+,16+,19?/m1/s1
InChIKey	SIBHXGIETDMWHZ-HHNRWWOVSA-N Google Search
Mol Weight	366.43 g/mol
Molecular Formula	C17H22N2O5S
Exact Mass	366.124943 g/mol

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SpectraBase Spectrum ID	9kh6nMsVFT
Name	(1S,2S,4S,5R,6S,7R)-5,6-Diacetoxy-8-(E,Z-2'-cyano-2'-tert-butylmercaptoethenyl)-8-aza-3-oxatricyclo[5.2.1.0(2,4)]octane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H22N2O5S
InChI	InChI=1S/C17H22N2O5S/c1-8(20)22-13-11-12(14-16(24-14)15(13)23-9(2)21)19(11)7-10(6-18)25-17(3,4)5/h7,11-16H,1-5H3/b10-7+/t11-,12+,13+,14+,15+,16+,19?/m1/s1
InChIKey	SIBHXGIETDMWHZ-HHNRWWOVSA-N
Molecular Weight	366.432 g/mol
SMILES	[C@@]12(N([C@]1([C@@]([C@@]([C@@]1([C@]2(O1)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])\C=C/(C#N)SC(C)(C)C)[H]
SPLASH	splash10-0006-9001000000-242360b50e9b7bc9767c
Source of Spectrum	QC-1-409-14
Synonyms	(1S,2S,4S,5S,6S,7R)-5,6-Diacetoxy-8-((E),Z-2'-cyano-2'-tert-butylmercaptoethenyl)-8-aza-3-oxatricyclo[5.2.1.0(2,4)]octane
Wiley ID	882806