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.beta.-L-threo-Hexopyranosid-4-ulose, methyl 3-deoxy-3-[methyl[(4-methylphenyl)sulfonyl]amino]-2-O-(phenylmethyl)-
SpectraBase Compound ID 4h357E50rco
InChI InChI=1S/C21H25NO6S/c1-15-9-11-17(12-10-15)29(24,25)22(2)19-18(23)14-28-21(26-3)20(19)27-13-16-7-5-4-6-8-16/h4-12,19-21H,13-14H2,1-3H3
InChIKey ADNRRVKWLYKRQK-UHFFFAOYSA-N
Mol Weight 419.49 g/mol
Molecular Formula C21H25NO6S
Exact Mass 419.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c1rcLF5Zic
Name .beta.-L-threo-Hexopyranosid-4-ulose, methyl 3-deoxy-3-[methyl[(4-methylphenyl)sulfonyl]amino]-2-O-(phenylmethyl)-
Alternate Name(s) methyl 2-O-benzyl-3-deoxy-3-{methyl[(4-methylphenyl)sulfonyl]amino}pentopyranosid-4-ulose Methyl-2-O-benzyl-3-deoxy-3-(N-methyltosylamino)-.beta.-L-threo-pentopyranos-4-uloside
CAS Registry Number 70798-26-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6S
InChI InChI=1S/C21H25NO6S/c1-15-9-11-17(12-10-15)29(24,25)22(2)19-18(23)14-28-21(26-3)20(19)27-13-16-7-5-4-6-8-16/h4-12,19-21H,13-14H2,1-3H3
InChIKey ADNRRVKWLYKRQK-UHFFFAOYSA-N
Molecular Weight 419.492 g/mol
SMILES C1(N(S(c2ccc(cc2)C)(=O)=O)C)C(C(OC)OCC1=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-f2be8ce9b6770a25bd4f
Source of Spectrum K-112-1856-0
Wiley ID 1377575