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5-cyano-2,6-dimethyl-4-(m-nitrophenyl)nipecotic acid, methyl ester (all trans-)
SpectraBase Compound ID H8UUysOzHDL
InChI InChI=1S/C16H19N3O4/c1-9-13(8-17)15(14(10(2)18-9)16(20)23-3)11-5-4-6-12(7-11)19(21)22/h4-7,9-10,13-15,18H,1-3H3/t9-,10+,13-,14+,15+/m1/s1
InChIKey FSFIEVJGSCPEFJ-KKGDDVQDSA-N
Mol Weight 317.34 g/mol
Molecular Formula C16H19N3O4
Exact Mass 317.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 185iDlp0q9W
Name 5-CYANO-2,6-DIMETHYL-4-(m-NITROPHENYL)NIPECOTIC ACID, METHYL ESTER(all trans-)
Source of Sample U. Rosentreter, Bayer AG, Wuppertal, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N3O4
InChI InChI=1S/C16H19N3O4/c1-9-13(8-17)15(14(10(2)18-9)16(20)23-3)11-5-4-6-12(7-11)19(21)22/h4-7,9-10,13-15,18H,1-3H3/t9-,10+,13-,14+,15+/m1/s1
InChIKey FSFIEVJGSCPEFJ-KKGDDVQDSA-N
Melting Point 112C
Molecular Weight 317.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms NIPECOTIC ACID, 5-CYANO-2,6-DIMETHYL-4-/M-NITROPHENYL/-, METHYL ESTER /ALL trans-/