Debug Info

object
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_id
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KbQduwf1C95
spectrumID
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KbQduwf1C95
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specType
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dbLocation
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WMS3X:211276:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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3-nitro-2-(phenylthio)pyridine
SpectraBase Compound ID Aph52esZNeU
InChI InChI=1S/C11H8N2O2S/c14-13(15)10-7-4-8-12-11(10)16-9-5-2-1-3-6-9/h1-8H
InChIKey QBKSNGRLYLQJSE-UHFFFAOYSA-N
Mol Weight 232.26 g/mol
Molecular Formula C11H8N2O2S
Exact Mass 232.030649 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbQduwf1C95
Name 2-Phenylthio-3-nitropyridine
Appearance Yellow crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2O2S
InChI InChI=1S/C11H8N2O2S/c14-13(15)10-7-4-8-12-11(10)16-9-5-2-1-3-6-9/h1-8H
InChIKey QBKSNGRLYLQJSE-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5988
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19970215)11_3_316
Molecular Weight 232.257 g/mol
SMILES c1(cccnc1Sc1ccccc1)[N+](=O)[O-]
SPLASH splash10-000i-4910000000-8aab4b29d1b34e802a7c
Source of Spectrum RCM-11-317-1
Wiley ID 1837528
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