Debug Info

object
{15}
_id
:
JyNrmRpD2LP
spectrumID
:
JyNrmRpD2LP
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:393959:1
hasStructureAssignments
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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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  • SearchStructure
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(3R*,5RT*)-3-(Indol-3-yl)-5-methoxycarbonyl-2-(2-oxobut-4-yl)isoxazolidine
SpectraBase Compound ID A5aTWUv9iC5
InChI InChI=1S/C17H20N2O4/c1-11(20)7-8-19-15(9-16(23-19)17(21)22-2)13-10-18-14-6-4-3-5-12(13)14/h3-6,10,15-16,18H,7-9H2,1-2H3/t15-,16-/m1/s1
InChIKey YSZSGNWVJLRMPS-HZPDHXFCSA-N
Mol Weight 316.36 g/mol
Molecular Formula C17H20N2O4
Exact Mass 316.142307 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyNrmRpD2LP
Name (3R*,5RT*)-3-(Indol-3-yl)-5-methoxycarbonyl-2-(2-oxobut-4-yl)isoxazolidine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O4
InChI InChI=1S/C17H20N2O4/c1-11(20)7-8-19-15(9-16(23-19)17(21)22-2)13-10-18-14-6-4-3-5-12(13)14/h3-6,10,15-16,18H,7-9H2,1-2H3/t15-,16-/m1/s1
InChIKey YSZSGNWVJLRMPS-HZPDHXFCSA-N
Molecular Weight 316.357 g/mol
SMILES [nH]1c2c(c(c1)[C@@]1(N(O[C@](C1)(C(=O)OC)[H])CCC(=O)C)[H])cccc2
SPLASH splash10-03di-1492000000-f4e9baecd94fce9b1bb3
Source of Spectrum F-53-756-9
Synonyms (3R*,5R*)-3-(Indol-3-yl)-5-methoxycarbonyl-2-(2-oxobut-4-yl)isoxazolidine
Wiley ID 799994
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