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benzoic acid, 4-[[[(7E)-3-cyano-6,7-dihydro-4-(2-thienyl)-7-(2-thienylmethylene)-5H-cyclopenta[b]pyridin-2-yl]thio]methyl]-, methyl ester

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benzoic acid, 4-[[[(7E)-3-cyano-6,7-dihydro-4-(2-thienyl)-7-(2-thienylmethylene)-5H-cyclopenta[b]pyridin-2-yl]thio]methyl]-, methyl ester
SpectraBase Compound ID KZn9I7EQOME
InChI InChI=1S/C27H20N2O2S3/c1-31-27(30)18-8-6-17(7-9-18)16-34-26-22(15-28)24(23-5-3-13-33-23)21-11-10-19(25(21)29-26)14-20-4-2-12-32-20/h2-9,12-14H,10-11,16H2,1H3/b19-14+
InChIKey MEXUWXJKDFAHPH-XMHGGMMESA-N
Mol Weight 500.65 g/mol
Molecular Formula C27H20N2O2S3
Exact Mass 500.068691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8XSeEcE5C0f
Name benzoic acid, 4-[[[(7E)-3-cyano-6,7-dihydro-4-(2-thienyl)-7-(2-thienylmethylene)-5H-cyclopenta[b]pyridin-2-yl]thio]methyl]-, methyl 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 500.068691412 u
Formula C27H20N2O2S3
InChI InChI=1S/C27H20N2O2S3/c1-31-27(30)18-8-6-17(7-9-18)16-34-26-22(15-28)24(23-5-3-13-33-23)21-11-10-19(25(21)29-26)14-20-4-2-12-32-20/h2-9,12-14H,10-11,16H2,1H3/b19-14+
InChIKey MEXUWXJKDFAHPH-XMHGGMMESA-N
Molecular Weight 500.649 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6307
Solvent DMSO-d6
Source Vendor ID: NMR/10220075; Lab Info: HOR; Lab Number: HOR-0000606
Temperature 29.85 °C