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D-erythro-Pentitol, 1,5-anhydro-3,4-dideoxy-3-[[(4-methylphenyl)sulfonyl]amino]-
SpectraBase Compound ID I1qOMYEOuVp
InChI InChI=1S/C12H17NO4S/c1-9-2-4-10(5-3-9)18(15,16)13-11-6-7-17-8-12(11)14/h2-5,11-14H,6-8H2,1H3
InChIKey PHXQUJTWMXKLCM-UHFFFAOYSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjmxBaYMcOV
Name D-erythro-Pentitol, 1,5-anhydro-3,4-dideoxy-3-[[(4-methylphenyl)sulfonyl]amino]-
Alternate Name(s) 1,5-anhydro-2,3-dideoxy-3-{[(4-methylphenyl)sulfonyl]amino}pentitol Tetrahydro-4-(4-methylphenylsulfonylamino)-3-pyranol
CAS Registry Number 78294-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-9-2-4-10(5-3-9)18(15,16)13-11-6-7-17-8-12(11)14/h2-5,11-14H,6-8H2,1H3
InChIKey PHXQUJTWMXKLCM-UHFFFAOYSA-N
Molecular Weight 271.331 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C1C(COCC1)O
SPLASH splash10-056y-4940000000-13e2920dcfbbaca82038
Source of Spectrum K-114-1832-0
Wiley ID 105604