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Methyl 2-[(2'-nitrophenyl)thio]-3,4,5-tri-O-acetyl-.alpha.-D-arabino-2-hexulopyranosonate
SpectraBase Compound ID 6N9tVQFxRG3
InChI InChI=1S/C19H21NO11S/c1-10(21)29-14-9-28-19(18(24)27-4,17(31-12(3)23)16(14)30-11(2)22)32-15-8-6-5-7-13(15)20(25)26/h5-8,14,16-17H,9H2,1-4H3/t14-,16-,17+,19+/m0/s1
InChIKey FWEMOTVIHBQFNP-ITQYTPKQSA-N
Mol Weight 471.43 g/mol
Molecular Formula C19H21NO11S
Exact Mass 471.083532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DxQccratRh
Name Methyl 2-[(2'-nitrophenyl)thio]-3,4,5-tri-O-acetyl-.alpha.-D-arabino-2-hexulopyranosonate
Alternate Name(s) Methyl 2-nitrophenyl 3,4,5-tri-O-acetyl-2-thiohex-2-ulopyranosidonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO11S
InChI InChI=1S/C19H21NO11S/c1-10(21)29-14-9-28-19(18(24)27-4,17(31-12(3)23)16(14)30-11(2)22)32-15-8-6-5-7-13(15)20(25)26/h5-8,14,16-17H,9H2,1-4H3/t14-,16-,17+,19+/m0/s1
InChIKey FWEMOTVIHBQFNP-ITQYTPKQSA-N
Molecular Weight 471.433 g/mol
SMILES [C@]1([C@@]([C@@](OC(=O)C)([C@](CO1)(OC(=O)C)[H])[H])(OC(=O)C)[H])(Sc1c(N(=O)=O)cccc1)C(=O)OC
SPLASH splash10-0006-9623100000-5ce1b77c7b38dc2768aa
Source of Spectrum Y-36-458-4
Wiley ID 762172