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2-Thioxo-1-pyridinyl 4-methylbenzoate
SpectraBase Compound ID LPNsKawc6XM
InChI InChI=1S/C13H11NO2S/c1-10-5-7-11(8-6-10)13(15)16-14-9-3-2-4-12(14)17/h2-9H,1H3
InChIKey KTHAABWSCWARLN-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C13H11NO2S
Exact Mass 245.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FcLLGQ94eGC
Name 2-Thioxo-1-pyridinyl 4-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c1-10-5-7-11(8-6-10)13(15)16-14-9-3-2-4-12(14)17/h2-9H,1H3
InChIKey KTHAABWSCWARLN-UHFFFAOYSA-N
Molecular Weight 245.296 g/mol
SMILES C1(N(C=CC=C1)OC(c1ccc(cc1)C)=O)=S
SPLASH splash10-014i-2920000000-7c639db6ffb5f7926ad1
Source of Spectrum K-2002-1040-15
Synonyms 1-[(4-methylbenzoyl)oxy]-2(1H)-pyridinethione
Wiley ID 1581215