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3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(1-thiocyanatoethyl)-, dimethyl ester
SpectraBase Compound ID 7u6j57H3B2j
InChI InChI=1S/C14H18N2O4S/c1-7-10(13(17)19-4)12(9(3)21-6-15)11(8(2)16-7)14(18)20-5/h9,12,16H,1-5H3
InChIKey NMOHAMWFNUPQOK-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C14H18N2O4S
Exact Mass 310.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5K7kkfdchys
Name 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(1-thiocyanatoethyl)-, dimethyl ester
Alternate Name(s) Dimethyl 1,4-dihydro-2,6-dimethyl-4-(1-thiocyanatoethyl)pyridine-3,5-dicarboxylate Dimethyl 4-[1-(cyanosulfanyl)ethyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate NSC 328009
CAS Registry Number 69891-54-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O4S
InChI InChI=1S/C14H18N2O4S/c1-7-10(13(17)19-4)12(9(3)21-6-15)11(8(2)16-7)14(18)20-5/h9,12,16H,1-5H3
InChIKey NMOHAMWFNUPQOK-UHFFFAOYSA-N
Molecular Weight 310.368 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OC)C(SC#N)C)C(=O)OC)C
SPLASH splash10-006x-0940000000-a6d51c679202df200a83
Source of Spectrum I-57-51-0
Wiley ID 1311195