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ethyl 2-{[(3,4-dimethylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 9zclh4HMZ8y
InChI InChI=1S/C22H27NO4S/c1-4-26-22(25)20-17-8-6-5-7-9-18(17)28-21(20)23-19(24)13-27-16-11-10-14(2)15(3)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,24)
InChIKey RQHXQZXHDBRGLN-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 82K5Kp9MEma
Name ethyl 2-{[(3,4-dimethylphenoxy)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/c1-4-26-22(25)20-17-8-6-5-7-9-18(17)28-21(20)23-19(24)13-27-16-11-10-14(2)15(3)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,24)
InChIKey RQHXQZXHDBRGLN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15720
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/1004093; Labnumber: NSB-0099876; UZI_ID: UZI-015724
Temperature 308 °C