Debug Info

object
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_id
:
LCWAYux5TZN
spectrumID
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LCWAYux5TZN
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:66838:1
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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3-(4-Chlorophenyl)-2-benzothiopyran-1-one
SpectraBase Compound ID 4mqY6vwQgFm
InChI InChI=1S/C15H9ClOS/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H
InChIKey ZXDOCUCOXXLTKZ-UHFFFAOYSA-N
Mol Weight 272.75 g/mol
Molecular Formula C15H9ClOS
Exact Mass 272.006264 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCWAYux5TZN
Name 3-(4-Chlorophenyl)-2-benzothiopyran-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9ClOS
InChI InChI=1S/C15H9ClOS/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H
InChIKey ZXDOCUCOXXLTKZ-UHFFFAOYSA-N
Molecular Weight 272.749 g/mol
SMILES C1(SC(=Cc2ccccc12)c1ccc(cc1)Cl)=O
SPLASH splash10-00di-0090000000-3d4aedc170843648b1f7
Source of Spectrum SO-0-1134-4
Synonyms 3-(4-Chlorophenyl)isothiochromen-1-one
Wiley ID 1541848
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