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2H-Pyran-3,5-diol, tetrahydro-4-nitro-, monoacetate (ester), [3S-(3.alpha.,4.beta.,5.alpha.)]-
SpectraBase Compound ID GBnBTFbTzTx
InChI InChI=1S/C7H11NO6/c1-4(9)14-6-3-13-2-5(10)7(6)8(11)12/h5-7,10H,2-3H2,1H3/t5-,6+,7+/m0/s1
InChIKey NTHGSNGGTGBADR-RRKCRQDMSA-N
Mol Weight 205.17 g/mol
Molecular Formula C7H11NO6
Exact Mass 205.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0f3Ljlbsyl
Name 2H-Pyran-3,5-diol, tetrahydro-4-nitro-, monoacetate (ester), [3S-(3.alpha.,4.beta.,5.alpha.)]-
CAS Registry Number 114454-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO6
InChI InChI=1S/C7H11NO6/c1-4(9)14-6-3-13-2-5(10)7(6)8(11)12/h5-7,10H,2-3H2,1H3/t5-,6+,7+/m0/s1
InChIKey NTHGSNGGTGBADR-RRKCRQDMSA-N
Molecular Weight 205.166 g/mol
SMILES O[C@@]1([C@@](N(=O)=O)([C@](OC(=O)C)(COC1)[H])[H])[H]
SPLASH splash10-00kf-9000000000-170e49b4b803fb73135f
Source of Spectrum H-71-13-12
Synonyms 4-O-acetyl-1,5-anhydro-3-deoxy-3-nitro-D-xylitol [(3S,4S,5R)-3,4,5,6-tetrahydro-5-hydroxy-4-nitro-2H-pyran-3-yl]-acetate
Wiley ID 1203171