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4,6-Di-O-Acetyl-3-(t-butylthio)-2,3-dideoxy-1-O-(p-nitrobenzoyl)-D-arabino-hexopyranose
SpectraBase Compound ID 2NCpaHNmFeU
InChI InChI=1S/C21H27NO9S/c1-12(23)28-11-16-19(29-13(2)24)17(32-21(3,4)5)10-18(30-16)31-20(25)14-6-8-15(9-7-14)22(26)27/h6-9,16-19H,10-11H2,1-5H3
InChIKey XYKCJZYMKIBZAS-UHFFFAOYSA-N
Mol Weight 469.51 g/mol
Molecular Formula C21H27NO9S
Exact Mass 469.140653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9el3DQ30XT3
Name 4,6-Di-O-Acetyl-3-(t-butylthio)-2,3-dideoxy-1-O-(p-nitrobenzoyl)-D-arabino-hexopyranose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO9S
InChI InChI=1S/C21H27NO9S/c1-12(23)28-11-16-19(29-13(2)24)17(32-21(3,4)5)10-18(30-16)31-20(25)14-6-8-15(9-7-14)22(26)27/h6-9,16-19H,10-11H2,1-5H3
InChIKey XYKCJZYMKIBZAS-UHFFFAOYSA-N
Molecular Weight 469.505 g/mol
SMILES c1(N(=O)=O)ccc(C(OC2OC(COC(=O)C)C(C(C2)SC(C)(C)C)OC(=O)C)=O)cc1
SPLASH splash10-0a4l-9700000000-f6230c6fb5f2e24a5f62
Source of Spectrum SB-44-1048-3
Synonyms 4,6-Di-O-acetyl-3-S-tert-butyl-2-deoxy-1-O-(4-nitrobenzoyl)-3-thiohexopyranose
Wiley ID 744685