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methyl 2-{[(4-propylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8GHrGmgdwir
InChI InChI=1S/C22H27NO4S/c1-3-7-15-10-12-16(13-11-15)27-14-19(24)23-21-20(22(25)26-2)17-8-5-4-6-9-18(17)28-21/h10-13H,3-9,14H2,1-2H3,(H,23,24)
InChIKey BCDITPKABGOGEN-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EtDU1klIF8k
Name methyl 2-{[(4-propylphenoxy)acetyl]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/C22H27NO4S/c1-3-7-15-10-12-16(13-11-15)27-14-19(24)23-21-20(22(25)26-2)17-8-5-4-6-9-18(17)28-21/h10-13H,3-9,14H2,1-2H3,(H,23,24)
InChIKey BCDITPKABGOGEN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4388
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/8118495; UBI_ID: UBI-004389
Temperature 318 °C