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4-piperidinecarboxylic acid, 1-[2-[[[3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]carbonyl]-4-nitrophenyl]-, ethyl ester

View entire compound with spectra: 1 NMR

4-piperidinecarboxylic acid, 1-[2-[[[3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]carbonyl]-4-nitrophenyl]-, ethyl ester
SpectraBase Compound ID JsCoej8IV43
InChI InChI=1S/C26H31N3O7S/c1-3-35-25(31)16-11-13-28(14-12-16)20-10-9-17(29(33)34)15-19(20)23(30)27-24-22(26(32)36-4-2)18-7-5-6-8-21(18)37-24/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,27,30)
InChIKey FWYMCUUVYALZOD-UHFFFAOYSA-N
Mol Weight 529.61 g/mol
Molecular Formula C26H31N3O7S
Exact Mass 529.188272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5C1bmGrema9
Name 4-piperidinecarboxylic acid, 1-[2-[[[3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]carbonyl]-4-nitrophenyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.188271517 u
Formula C26H31N3O7S
InChI InChI=1S/C26H31N3O7S/c1-3-35-25(31)16-11-13-28(14-12-16)20-10-9-17(29(33)34)15-19(20)23(30)27-24-22(26(32)36-4-2)18-7-5-6-8-21(18)37-24/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,27,30)
InChIKey FWYMCUUVYALZOD-UHFFFAOYSA-N
Molecular Weight 529.608 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2237
Solvent DMSO-d6
Source Vendor ID: NMR/9215501; Lab Info: DS; Lab Number: DS-0000951