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3,5-pyridinedicarboxylic acid, 1,4-dihydro-1-tricyclo[3.3.1.1~3,7~]dec-1-yl-4-[4-(trifluoromethyl)phenyl]-, dimethyl ester
SpectraBase Compound ID JIFBkB9dcwB
InChI InChI=1S/C26H28F3NO4/c1-33-23(31)20-13-30(25-10-15-7-16(11-25)9-17(8-15)12-25)14-21(24(32)34-2)22(20)18-3-5-19(6-4-18)26(27,28)29/h3-6,13-17,22H,7-12H2,1-2H3/t15-,16+,17-,25-
InChIKey BGOXKYHDLNTRBR-CIRRPZLZSA-N
Mol Weight 475.51 g/mol
Molecular Formula C26H28F3NO4
Exact Mass 475.197043 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ew0esJVCnN8
Name 3,5-pyridinedicarboxylic acid, 1,4-dihydro-1-tricyclo[3.3.1.1~3,7~]dec-1-yl-4-[4-(trifluoromethyl)phenyl]-, dimethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.197042871 u
Formula C26H28F3NO4
InChI InChI=1S/C26H28F3NO4/c1-33-23(31)20-13-30(25-10-15-7-16(11-25)9-17(8-15)12-25)14-21(24(32)34-2)22(20)18-3-5-19(6-4-18)26(27,28)29/h3-6,13-17,22H,7-12H2,1-2H3/t15-,16+,17-,25-
InChIKey BGOXKYHDLNTRBR-CIRRPZLZSA-N
Molecular Weight 475.508 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14664
Solvent DMSO-d6
Source Vendor ID: NMR/10311496; Lab Info: SAS; Lab Number: SAS-tst4291