Debug Info

object
{15}
_id
:
B3dsp1XybNA
spectrumID
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B3dsp1XybNA
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:414682:1
hasStructureAssignments
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false
properties
{10}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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2-(4,5-Dimethyl-2-nitro-anilino)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SpectraBase Compound ID 8kvGQyZuuqM
InChI InChI=1S/C14H20N2O7/c1-6-3-8(9(16(21)22)4-7(6)2)15-14-13(20)12(19)11(18)10(5-17)23-14/h3-4,10-15,17-20H,5H2,1-2H3/t10-,11-,12+,13+,14-/m1/s1
InChIKey WIWAWODOHQOLFP-UHFFFAOYSA-N
Mol Weight 328.32 g/mol
Molecular Formula C14H20N2O7
Exact Mass 328.127051 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3dsp1XybNA
Name 2-(4,5-dimethyl-2-nitro-anilino)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O7
InChI InChI=1S/C14H20N2O7/c1-6-3-8(9(16(21)22)4-7(6)2)15-14-13(20)12(19)11(18)10(5-17)23-14/h3-4,10-15,17-20H,5H2,1-2H3/t10-,11-,12+,13+,14-/m1/s1
InChIKey WIWAWODOHQOLFP-UHFFFAOYSA-N
Molecular Weight 328.321 g/mol
SMILES N([C@]1([C@]([C@]([C@@]([C@@](CO)(O1)[H])(O)[H])(O)[H])(O)[H])[H])c1c(N(=O)=O)cc(c(C)c1)C
SPLASH splash10-014i-7900000000-33bbec0095e96f1267c3
Synonyms 2-(4,5-dimethyl-2-nitro-anilino)-6-methylol-tetrahydropyran-3,4,5-triol 2-(4,5-dimethyl-2-nitroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(4,5-dimethyl-2-nitro-phenyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol N-(4,5-dimethyl-2-nitrophenyl)hexopyranosylamine
Wiley ID 1452573
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