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(1S,2S,4S,5S,6S,7R)-5,6-Diacetoxy-8-(E,Z-2'-cyano-2'-tert-butylmercaptoethenyl)amino)-8-aza-3-oxabicyclo[5.1.0.(2,4)]octane

View entire compound with spectra: 1 MS (GC)

(1S,2S,4S,5S,6S,7R)-5,6-Diacetoxy-8-(E,Z-2'-cyano-2'-tert-butylmercaptoethenyl)amino)-8-aza-3-oxabicyclo[5.1.0.(2,4)]octane
SpectraBase Compound ID CKHpX7yczYE
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-QGJRODETSA-N
Mol Weight 366.43 g/mol
Molecular Formula C17H22N2O5S
Exact Mass 366.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASDnclnZxz5
Name (1S,2S,4S,5S,6S,7R)-5,6-Diacetoxy-8-(E,Z-2'-cyano-2'-tert-butylmercaptoethenyl)amino)-8-aza-3-oxabicyclo[5.1.0.(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-QGJRODETSA-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-d1c703627d0ce01c7756
Source of Spectrum QC-1-412-16
Synonyms (1S,2S,4S,5R,6S,7R)-5,6-Diacetoxy-8-((E)-2'-cyano-2'-tert-butylmercaptoethenyl)amino-8-aza-3-oxabicyclo[5.1.0.(2,4)]octane
Wiley ID 882802