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(trans)-6-Phenyl-3,6-dihydro-2H-pyridine-1,2-dicarboxylic acid 2-methyl ester 1-(2,2,2-trichloroethyl) ester
SpectraBase Compound ID KkjLNREsLFS
InChI InChI=1S/C16H16Cl3NO4/c1-23-14(21)13-9-5-8-12(11-6-3-2-4-7-11)20(13)15(22)24-10-16(17,18)19/h2-8,12-13H,9-10H2,1H3/t12-,13-/m1/s1
InChIKey KJZMRFWFUTUJLU-CHWSQXEVSA-N
Mol Weight 392.67 g/mol
Molecular Formula C16H16Cl3NO4
Exact Mass 391.014491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9LtiolFjqzk
Name (trans)-6-Phenyl-3,6-dihydro-2H-pyridine-1,2-dicarboxylic acid 2-methyl ester 1-(2,2,2-trichloroethyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Cl3NO4
InChI InChI=1S/C16H16Cl3NO4/c1-23-14(21)13-9-5-8-12(11-6-3-2-4-7-11)20(13)15(22)24-10-16(17,18)19/h2-8,12-13H,9-10H2,1H3/t12-,13-/m1/s1
InChIKey KJZMRFWFUTUJLU-CHWSQXEVSA-N
Literature Reference DOI 10.1002/adsc.200600482
Molecular Weight 392.666 g/mol
SMILES C1[C@](C(OC)=O)(N(C(OCC(Cl)(Cl)Cl)=O)[C@@](c2ccccc2)(C=C1)[H])[H]
SPLASH splash10-014i-1952000000-bba4bda546a73bff7cce
Source of Spectrum ASC-349-157/SM11-17
Synonyms (2R,6R)-2-methyl 1-(2,2,2-trichloroethyl) 6-phenyl-2,3-dihydropyridine-1,2(6H)-dicarboxylate
Wiley ID 1765306