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3,5-Pyridinedicarboxylic acid, 4-(1-bromoethyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester
SpectraBase Compound ID 5hQNVolRL9s
InChI InChI=1S/C13H18BrNO4/c1-6(14)9-10(12(16)18-4)7(2)15-8(3)11(9)13(17)19-5/h6,9,15H,1-5H3
InChIKey YUACXRDIMVGXQP-UHFFFAOYSA-N
Mol Weight 332.19 g/mol
Molecular Formula C13H18BrNO4
Exact Mass 331.041921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtcXRN2JunN
Name 3,5-Pyridinedicarboxylic acid, 4-(1-bromoethyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester
Alternate Name(s) Dimethyl 4-(1-bromoethyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate Dimethyl-4-(1-bromoethyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CAS Registry Number 69891-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18BrNO4
InChI InChI=1S/C13H18BrNO4/c1-6(14)9-10(12(16)18-4)7(2)15-8(3)11(9)13(17)19-5/h6,9,15H,1-5H3
InChIKey YUACXRDIMVGXQP-UHFFFAOYSA-N
Molecular Weight 332.194 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OC)C(Br)C)C(=O)OC)C
SPLASH splash10-022c-0950000000-8c8c1cc6ae1eb3f5e6e6
Source of Spectrum I-57-50-0
Wiley ID 1328503