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Methyl 2-[(2'-aminophenyl)thio]-3,4,5-tri-O-acetyl-.alpha.-D-arabino-2-hexulopyranosonate
SpectraBase Compound ID COf3F4Nb71K
InChI InChI=1S/C19H23NO9S/c1-10(21)27-14-9-26-19(18(24)25-4,30-15-8-6-5-7-13(15)20)17(29-12(3)23)16(14)28-11(2)22/h5-8,14,16-17H,9,20H2,1-4H3
InChIKey XKTXYPXYRUMEFU-UHFFFAOYSA-N
Mol Weight 441.45 g/mol
Molecular Formula C19H23NO9S
Exact Mass 441.109352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R4CkwDkHiL
Name Methyl 2-[(2'-aminophenyl)thio]-3,4,5-tri-O-acetyl-.alpha.-D-arabino-2-hexulopyranosonate
Alternate Name(s) 2-Aminophenyl methyl 3,4,5-tri-O-acetyl-2-thiohex-2-ulopyranosidonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO9S
InChI InChI=1S/C19H23NO9S/c1-10(21)27-14-9-26-19(18(24)25-4,30-15-8-6-5-7-13(15)20)17(29-12(3)23)16(14)28-11(2)22/h5-8,14,16-17H,9,20H2,1-4H3
InChIKey XKTXYPXYRUMEFU-UHFFFAOYSA-N
Molecular Weight 441.451 g/mol
SMILES Nc1c(SC2(C(C(OC(=O)C)C(CO2)OC(=O)C)OC(=O)C)C(=O)OC)cccc1
SPLASH splash10-052f-9712000000-ad2587cd872a511ce3e0
Source of Spectrum Y-36-459-5
Wiley ID 762171