Debug Info

object
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_id
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7RC1HcnsFuE
spectrumID
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7RC1HcnsFuE
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specType
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Mass Spectrum (GC)
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compound
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2-(2-Chlorobenzylthio)uracil
SpectraBase Compound ID ExlhYvdV03A
InChI InChI=1S/C11H10ClN2O2S/c12-9-4-2-1-3-8(9)7-17-11(16)13-6-5-10(15)14-11/h1-6H,7H2,(H2,13,14,15,16)
InChIKey HVLOKUDJDUSYIL-UHFFFAOYSA-N
Mol Weight 269.73 g/mol
Molecular Formula C11H10ClN2O2S
Exact Mass 269.015151 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RC1HcnsFuE
Name 2-(2-Chlorobenzylthio)uracil
Comments Note: The molecular formula of the structure shown is C11H10ClN2O2S - which differs from the formula reported for the mass spectrum (C11H9ClN2OS)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9ClN2OS
InChI InChI=1S/C11H10ClN2O2S/c12-9-4-2-1-3-8(9)7-17-11(16)13-6-5-10(15)14-11/h1-6H,7H2,(H2,13,14,15,16)
InChIKey HVLOKUDJDUSYIL-UHFFFAOYSA-N
Molecular Weight 269.726 g/mol
SMILES N1C=CC(N[C]1(=O)SCc1c(cccc1)Cl)=O
SPLASH splash10-016r-0790000000-14d79c88f1a84f8f1a7e
Source of Spectrum O-30-269-1
Wiley ID 1255078
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