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1-S-[(1E)-N-Hydroxy-3-butenimidoyl]-1-thiohexopyranose
SpectraBase Compound ID 9Wk5zxEybj5
InChI InChI=1S/C10H17NO6S/c1-2-3-6(11-16)18-10-9(15)8(14)7(13)5(4-12)17-10/h2,5,7-10,12-16H,1,3-4H2/b11-6+
InChIKey NMXWTQFCMCVSFH-IZZDOVSWSA-N
Mol Weight 279.31 g/mol
Molecular Formula C10H17NO6S
Exact Mass 279.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElFbW57KFjc
Name 1-S-[(1E)-N-Hydroxy-3-butenimidoyl]-1-thiohexopyranose
Alternate Name(s) (1E)-N-hydroxybut-3-enimidothioic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Desulphosinigrin (1E)-N-hydroxy-3-butenimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-hydroxybut-3-enimidothioate [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-N-hydroxybut-3-enimidothioate
CAS Registry Number 5115-81-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H17NO6S
InChI InChI=1S/C10H17NO6S/c1-2-3-6(11-16)18-10-9(15)8(14)7(13)5(4-12)17-10/h2,5,7-10,12-16H,1,3-4H2/b11-6+
InChIKey NMXWTQFCMCVSFH-IZZDOVSWSA-N
Molecular Weight 279.307 g/mol
SMILES OCC1OC(C(C(C1O)O)O)S\C(CC=C)=N/O
SPLASH splash10-01ox-9100000000-02ba3dd06ae34356efd8
Source of Spectrum W5-1989-8536-1
Wiley ID 1282719