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3-pyrrolidinecarboxamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-1-(4-propoxyphenyl)-
SpectraBase Compound ID 6FOlMLtKsjr
InChI InChI=1S/C23H25N3O3S/c1-2-11-29-17-9-7-16(8-10-17)26-14-15(12-21(26)27)22(28)25-23-19(13-24)18-5-3-4-6-20(18)30-23/h7-10,15H,2-6,11-12,14H2,1H3,(H,25,28)
InChIKey QVCRGVDRDJHKAW-UHFFFAOYSA-N
Mol Weight 423.53 g/mol
Molecular Formula C23H25N3O3S
Exact Mass 423.161663 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3gT3Wzh4cn2
Name 3-pyrrolidinecarboxamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-oxo-1-(4-propoxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.161662848 u
Formula C23H25N3O3S
InChI InChI=1S/C23H25N3O3S/c1-2-11-29-17-9-7-16(8-10-17)26-14-15(12-21(26)27)22(28)25-23-19(13-24)18-5-3-4-6-20(18)30-23/h7-10,15H,2-6,11-12,14H2,1H3,(H,25,28)
InChIKey QVCRGVDRDJHKAW-UHFFFAOYSA-N
Molecular Weight 423.531 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12400
Solvent DMSO-d6
Source Vendor ID: NMR/10272165; Lab Info: LP; Lab Number: LP-0201554