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2-[(Bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, methyl ester

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2-[(Bicyclo[2.2.1]heptane-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, methyl ester
SpectraBase Compound ID Lg3Qq7n5QF1
InChI InChI=1S/C22H31NO3S/c1-22(2,3)14-7-8-15-17(11-14)27-20(18(15)21(25)26-4)23-19(24)16-10-12-5-6-13(16)9-12/h12-14,16H,5-11H2,1-4H3,(H,23,24)
InChIKey BZALCZFYPHRMAQ-UHFFFAOYSA-N
Mol Weight 389.55 g/mol
Molecular Formula C22H31NO3S
Exact Mass 389.202465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CCODc1NAWIJ
Name methyl 2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C22H31NO3S/c1-22(2,3)14-7-8-15-17(11-14)27-20(18(15)21(25)26-4)23-19(24)16-10-12-5-6-13(16)9-12/h12-14,16H,5-11H2,1-4H3,(H,23,24)
InChIKey BZALCZFYPHRMAQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5321
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/8150230; UBI_ID: UBI-005323
Temperature 318 °C