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1-(2-Thioxo-1(2H)-pyridinyl)acetone
SpectraBase Compound ID 3ucsESoBF2L
InChI InChI=1S/C8H9NOS/c1-7(10)6-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKey QSITWDHCNDBVMN-UHFFFAOYSA-N
Mol Weight 167.23 g/mol
Molecular Formula C8H9NOS
Exact Mass 167.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWFx4quzdPd
Name 1-(2-Thioxo-1(2H)-pyridinyl)acetone
CAS Registry Number 13134-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NOS
InChI InChI=1S/C8H9NOS/c1-7(10)6-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKey QSITWDHCNDBVMN-UHFFFAOYSA-N
Molecular Weight 167.226 g/mol
SMILES CC(CN1C(=S)C=CC=C1)=O
SPLASH splash10-00vi-9600000000-9f89aa6b54c7a9ded5b2
Synonyms 1-(2-Sulfanylidene-1-pyridinyl)-2-propanone 1-(2-Sulfanylidenepyridin-1-yl)propan-2-one 1-(2-Thioxo-1-pyridyl)acetone 1-(2-Thioxo-1-pyridyl)propan-2-one Propan-2-one, 1-(1,2-dihydro-2-thioxopyrid-1-yl)-
Wiley ID 1465305