Debug Info

object
{15}
_id
:
1kBkc6I0HB1
spectrumID
:
1kBkc6I0HB1
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:413354:1
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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Me-pgema
SpectraBase Compound ID rGSkgrtzZQ
InChI InChI=1S/C15H21NO5S/c1-11(17)16-14(15(19)20-2)10-22-9-12(18)8-21-13-6-4-3-5-7-13/h3-7,12,14,18H,8-10H2,1-2H3,(H,16,17)
InChIKey GVFHBADICPHHTP-UHFFFAOYSA-N
Mol Weight 327.39 g/mol
Molecular Formula C15H21NO5S
Exact Mass 327.114044 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kBkc6I0HB1
Name Me-pgema
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO5S
InChI InChI=1S/C15H21NO5S/c1-11(17)16-14(15(19)20-2)10-22-9-12(18)8-21-13-6-4-3-5-7-13/h3-7,12,14,18H,8-10H2,1-2H3,(H,16,17)
InChIKey GVFHBADICPHHTP-UHFFFAOYSA-N
Molecular Weight 327.395 g/mol
SMILES N(C(CSCC(COc1ccccc1)O)C(=O)OC)C(=O)C
SPLASH splash10-017i-2940000000-e45444c750e2a163dabb
Source of Spectrum CRT-11-115-fig.2/D
Synonyms Mercapturic Acid Methyl Ester Phenyl Glycidyl Ether Methyl 7-phenoxy-2-(acetylamino)-6-hydroxy-4-thiaheptanoate
Wiley ID 1709790
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