Debug Info

object
{15}
_id
:
6HoDw5aBBkV
spectrumID
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6HoDw5aBBkV
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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MTX:31139:1
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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4-AZA-5-THIATRICYCLO[5.2.1.0E3,7]DECANE, 5,5-DIOXO-4-(2-PROPENOYL)-10,10-DIMETHYL-
SpectraBase Compound ID F2MV1ay9NCj
InChI InChI=1S/C13H19NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h4,9-10H,1,5-8H2,2-3H3/t9-,10?,13-/m0/s1
InChIKey QYWKUFBZHFLMBU-DZGIZQBRSA-N
Mol Weight 269.36 g/mol
Molecular Formula C13H19NO3S
Exact Mass 269.108565 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HoDw5aBBkV
Name 4-AZA-5-THIATRICYCLO[5.2.1.0E3,7]DECANE, 5,5-DIOXO-4-(2-PROPENOYL)-10,10-DIMETHYL-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H19NO3S
InChI InChI=1S/C13H19NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h4,9-10H,1,5-8H2,2-3H3/t9-,10?,13-/m0/s1
InChIKey QYWKUFBZHFLMBU-DZGIZQBRSA-N
Instrument Name 311A
Molecular Weight 269.1081
SMILES C1[C@@]23CS(N(C(C=C)=O)C3C[C@@](C2(C)C)(C1)[H])(=O)=O
SPLASH splash10-0a4i-9300000000-c22536c7e524564a260b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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