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ethyl 2-{[4-(isopentyloxy)benzoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID HQuyYchRTt1
InChI InChI=1S/C24H31NO4S/c1-4-28-24(27)21-19-8-6-5-7-9-20(19)30-23(21)25-22(26)17-10-12-18(13-11-17)29-15-14-16(2)3/h10-13,16H,4-9,14-15H2,1-3H3,(H,25,26)
InChIKey MTYQPIOQTIIVIZ-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C24H31NO4S
Exact Mass 429.19738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IKPkeOj9IBC
Name ethyl 2-{[4-(isopentyloxy)benzoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C24H31NO4S/c1-4-28-24(27)21-19-8-6-5-7-9-20(19)30-23(21)25-22(26)17-10-12-18(13-11-17)29-15-14-16(2)3/h10-13,16H,4-9,14-15H2,1-3H3,(H,25,26)
InChIKey MTYQPIOQTIIVIZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34761
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: 9313191; SBI_ID: SBI-034765
Temperature 306 °C