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6-({[3-(ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid

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6-({[3-(ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID 7K2ItmLHQq9
InChI InChI=1S/C20H25NO5S/c1-4-26-20(25)16-12-6-5-7-15(12)27-18(16)21-17(22)13-8-10(2)11(3)9-14(13)19(23)24/h13-14H,4-9H2,1-3H3,(H,21,22)(H,23,24)
InChIKey FELSALOMWGPMNN-UHFFFAOYSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HBeVEnoTuPF
Name 6-({[3-(ethoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H25NO5S/c1-4-26-20(25)16-12-6-5-7-15(12)27-18(16)21-17(22)13-8-10(2)11(3)9-14(13)19(23)24/h13-14H,4-9H2,1-3H3,(H,21,22)(H,23,24)
InChIKey FELSALOMWGPMNN-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15536
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9685994; Labnumber: NSB-0098907; UZI_ID: UZI-015540
Temperature 308 °C