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1-(Acetylamino)-1,2,5-trideoxy-3-O-(4-nitrobenzoyl)pentitol
SpectraBase Compound ID FV68t7FVnHY
InChI InChI=1S/C14H18N2O6/c1-9(17)13(7-8-15-10(2)18)22-14(19)11-3-5-12(6-4-11)16(20)21/h3-6,9,13,17H,7-8H2,1-2H3,(H,15,18)
InChIKey YYUJNMGTQNWMNX-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C14H18N2O6
Exact Mass 310.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jA9Tcr8562
Name 1-(Acetylamino)-1,2,5-trideoxy-3-O-(4-nitrobenzoyl)pentitol
Alternate Name(s) (1-acetamido-4-hydroxypentan-3-yl) 4-nitrobenzoate (1-acetamido-4-oxidanyl-pentan-3-yl) 4-nitrobenzoate 4-Nitrobenzoic acid (1-acetamido-4-hydroxypentan-3-yl) ester Benzoic acid, 4-nitro-, (1-[2(acetylamino)ethyl]-2-hydroxypropyl) ester [1-(2-acetamidoethyl)-2-hydroxy-propyl] 4-nitrobenzoate
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Formula C14H18N2O6
InChI InChI=1S/C14H18N2O6/c1-9(17)13(7-8-15-10(2)18)22-14(19)11-3-5-12(6-4-11)16(20)21/h3-6,9,13,17H,7-8H2,1-2H3,(H,15,18)
InChIKey YYUJNMGTQNWMNX-UHFFFAOYSA-N
Molecular Weight 310.306 g/mol
SMILES OC(C(CCNC(=O)C)OC(c1ccc(N(=O)=O)cc1)=O)C
SPLASH splash10-0f8i-9500000000-1182975b37d844bb89e1
Wiley ID 1477293