Debug Info

object
{15}
_id
:
7dfQWFhxNmY
spectrumID
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7dfQWFhxNmY
cost
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1
specType
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8388608
xnmrNucleus
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dbLocation
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HBX:9907:2
hasStructureAssignments
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properties
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analyticalTechnique
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1H NMR
analyticalTechniqueLongName
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1H Nuclear Magnetic Resonance (NMR) Spectrum
isFullSpectrum
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spectralOutlier
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compound
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1735074081058
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Benzylthioacetonitrile
SpectraBase Compound ID 2ctfgt278g4
InChI InChI=1S/C9H9NS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChIKey LMQUKUCRNPUBOF-UHFFFAOYSA-N
Mol Weight 163.24 g/mol
Molecular Formula C9H9NS
Exact Mass 163.04557 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7dfQWFhxNmY
Name (BENZYLTHIO)ACETONITRILE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NS
InChI InChI=1S/C9H9NS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChIKey LMQUKUCRNPUBOF-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 163.24
Solvent CDCl3; Reference=TMS; Temperature 297K
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