Debug Info

object
{15}
_id
:
43N5PdhI8YZ
spectrumID
:
43N5PdhI8YZ
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:175846:1
hasStructureAssignments
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false
properties
{11}
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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(1S*,4S*,5R*)-1,4,6-Trimethyl-5-phenyl-3-oxa-6-azabicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID AEjOm3mgcwk
InChI InChI=1S/C13H15NO2/c1-9-13(10-7-5-4-6-8-10)12(2,14(13)3)11(15)16-9/h4-9H,1-3H3/t9-,12+,13+,14?/m0/s1
InChIKey QSIOFWRYEKJURS-CGMJMLOCSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43N5PdhI8YZ
Name (1S*,4S*,5R*)-1,4,6-Trimethyl-5-phenyl-3-oxa-6-azabicyclo[3.1.0]hexan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-9-13(10-7-5-4-6-8-10)12(2,14(13)3)11(15)16-9/h4-9H,1-3H3/t9-,12+,13+,14?/m0/s1
InChIKey QSIOFWRYEKJURS-CGMJMLOCSA-N
Molecular Weight 217.268 g/mol
SMILES [C@]12([C@@]([C@](C)(OC2=O)[H])(c2ccccc2)N1C)C
SPLASH splash10-0ab9-6900000000-4cbcc20030cfd377807d
Source of Spectrum KC-61-3258-17
Synonyms (1R*,4S*,5S*)-1,4,6-Trimethyl-5-phenyl-3-oxa-6-azabicyclo[3.1.0]hexan-2-one (1S,4S,5R)-1,4,6-trimethyl-5-phenyl-3-oxa-6-azabicyclo[3.1.0]hexan-2-one
Wiley ID 1628414
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