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1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-(2-methyl-1,3-dithian-2-yl)-, methyl ester

View entire compound with spectra: 1 MS (GC)

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-(2-methyl-1,3-dithian-2-yl)-, methyl ester
SpectraBase Compound ID IgWAYFQBIht
InChI InChI=1S/C12H19NO2S2/c1-12(16-8-3-9-17-12)10-4-6-13(7-5-10)11(14)15-2/h4,6,10H,3,5,7-9H2,1-2H3
InChIKey MDCSIMJLGMJYBN-UHFFFAOYSA-N
Mol Weight 273.41 g/mol
Molecular Formula C12H19NO2S2
Exact Mass 273.085721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASGTufTwuIT
Name 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-(2-methyl-1,3-dithian-2-yl)-, methyl ester
Alternate Name(s) 3-Acetyl-1-carbomethoxy-2-piperideine propylene thioketal Methyl 4-(2-methyl-1,3-dithian-2-yl)-3,4-dihydro-1(2H)-pyridinecarboxylate
CAS Registry Number 114059-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO2S2
InChI InChI=1S/C12H19NO2S2/c1-12(16-8-3-9-17-12)10-4-6-13(7-5-10)11(14)15-2/h4,6,10H,3,5,7-9H2,1-2H3
InChIKey MDCSIMJLGMJYBN-UHFFFAOYSA-N
Molecular Weight 273.409 g/mol
SMILES C(N1C=CC(C2(SCCCS2)C)CC1)(=O)OC
SPLASH splash10-0a4j-5900000000-95562a5be4d6b9144613
Source of Spectrum J-53-1955-6
Wiley ID 1277027