Debug Info

object
{15}
_id
:
1oIBPGvFXJy
spectrumID
:
1oIBPGvFXJy
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:26643:1
hasStructureAssignments
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false
properties
{10}
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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Methyl 4-deuteriobenzoate
SpectraBase Compound ID FdE2Gzl6RW7
InChI InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i2D
InChIKey QPJVMBTYPHYUOC-VMNATFBRSA-N
Mol Weight 137.16 g/mol
Molecular Formula C8H7DO2
Exact Mass 137.058706 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oIBPGvFXJy
Name Methyl 4-deuteriobenzoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7DO2
InChI InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i2D
InChIKey QPJVMBTYPHYUOC-VMNATFBRSA-N
Molecular Weight 137.156 g/mol
SMILES C(=O)(c1ccc(cc1)[D])OC
SPLASH splash10-0a6r-3900000000-731f0f5ddcfe0191626b
Source of Spectrum QE-14-3378-D-14-Me
Wiley ID 1691987
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