Debug Info

object
{15}
_id
:
C8kpNcgqfKm
spectrumID
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C8kpNcgqfKm
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:447751:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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spectralOutlier
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compound
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lastUpdated
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1735074081058
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false

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3-Acetyl-4-[2'-imino-1'-(methoxycarbonyl)propyl]-6-nitrochroman-2-one
SpectraBase Compound ID 2PxIq4rkAT6
InChI InChI=1S/C16H16N2O7/c1-7(17)12(15(20)24-3)14-10-6-9(18(22)23)4-5-11(10)25-16(21)13(14)8(2)19/h4-6,12-14,17H,1-3H3
InChIKey MLZUWKDJEVOMEM-UHFFFAOYSA-N
Mol Weight 348.31 g/mol
Molecular Formula C16H16N2O7
Exact Mass 348.095751 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8kpNcgqfKm
Name 3-Acetyl-4-[2'-imino-1'-(methoxycarbonyl)propyl]-6-nitrochroman-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O7
InChI InChI=1S/C16H16N2O7/c1-7(17)12(15(20)24-3)14-10-6-9(18(22)23)4-5-11(10)25-16(21)13(14)8(2)19/h4-6,12-14,17H,1-3H3
InChIKey MLZUWKDJEVOMEM-UHFFFAOYSA-N
Molecular Weight 348.311 g/mol
SMILES N=C(C(C1C(C(Oc2c1cc(N(=O)=O)cc2)=O)C(=O)C)C(=O)OC)C
SPLASH splash10-0597-6079000000-dc03e109afe849ac27c5
Source of Spectrum D8-328-55-3
Synonyms Methyl 2-(3-acetyl-6-nitro-2-oxo-3,4-dihydro-2H-chromen-4-yl)-3-iminobutanoate
Wiley ID 1515582
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