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1-S-[(1E)-N-Hydroxy-2-(1H-indol-3-yl)ethanimidoyl]-1-thiohexopyranose
SpectraBase Compound ID 4QGFirAP5ak
InChI InChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-
InChIKey CWNIQCOMWQROPA-PDGQHHTCSA-N
Mol Weight 368.4 g/mol
Molecular Formula C16H20N2O6S
Exact Mass 368.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vAlLZ8MPKj
Name 1-S-[(1E)-N-Hydroxy-2-(1H-indol-3-yl)ethanimidoyl]-1-thiohexopyranose
CAS Registry Number 43110-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O6S
InChI InChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-
InChIKey CWNIQCOMWQROPA-PDGQHHTCSA-N
Molecular Weight 368.404 g/mol
SMILES OCC1OC(S\C(=N/O)Cc2c[nH]c3ccccc23)C(C(C1O)O)O
SPLASH splash10-0a59-9700000000-b93f034b8077ce8533e4
Source of Spectrum W5-1989-8546-1
Synonyms Desulfoglucobrassicin
Wiley ID 1352812