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4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(4-fluorophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, ethyl ester
SpectraBase Compound ID 43P1MxDczur
InChI InChI=1S/C20H22FNO4S/c1-2-25-20(24)18-15-6-4-3-5-7-16(15)27-19(18)22-17(23)12-26-14-10-8-13(21)9-11-14/h8-11H,2-7,12H2,1H3,(H,22,23)
InChIKey PTNVYURKCAMISA-UHFFFAOYSA-N
Mol Weight 391.46 g/mol
Molecular Formula C20H22FNO4S
Exact Mass 391.125358 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hx4R2s4Tzqc
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[[(4-fluorophenoxy)acetyl]amino]-5,6,7,8-tetrahydro-, 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 391.125357525 u
Formula C20H22FNO4S
InChI InChI=1S/C20H22FNO4S/c1-2-25-20(24)18-15-6-4-3-5-7-16(15)27-19(18)22-17(23)12-26-14-10-8-13(21)9-11-14/h8-11H,2-7,12H2,1H3,(H,22,23)
InChIKey PTNVYURKCAMISA-UHFFFAOYSA-N
Molecular Weight 391.457 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6077
Solvent DMSO-d6
Source Vendor ID: ZI/10022953; Lab Info: PNA; Lab Number: PNA-1990883