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6-({[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid

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6-({[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID EhnrGLMM7cc
InChI InChI=1S/C25H35NO5S/c1-2-31-25(30)21-19-15-9-7-5-3-4-6-8-10-16-20(19)32-23(21)26-22(27)17-13-11-12-14-18(17)24(28)29/h11-12,17-18H,2-10,13-16H2,1H3,(H,26,27)(H,28,29)
InChIKey FDJLMPBQEBOIHT-UHFFFAOYSA-N
Mol Weight 461.6 g/mol
Molecular Formula C25H35NO5S
Exact Mass 461.223594 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2RiaZDTHLde
Name 6-({[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl]amino}carbonyl)-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/C25H35NO5S/c1-2-31-25(30)21-19-15-9-7-5-3-4-6-8-10-16-20(19)32-23(21)26-22(27)17-13-11-12-14-18(17)24(28)29/h11-12,17-18H,2-10,13-16H2,1H3,(H,26,27)(H,28,29)
InChIKey FDJLMPBQEBOIHT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11021
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/9082266; UBI_ID: UBI-011024
Temperature 313 °C