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propyl 2-{[(2,4,6-trichlorophenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID IkwiyZNzDrM
InChI InChI=1S/C21H22Cl3NO4S/c1-2-8-28-21(27)18-13-6-4-3-5-7-16(13)30-20(18)25-17(26)11-29-19-14(23)9-12(22)10-15(19)24/h9-10H,2-8,11H2,1H3,(H,25,26)
InChIKey KLWLJMWVMAABSL-UHFFFAOYSA-N
Mol Weight 490.83 g/mol
Molecular Formula C21H22Cl3NO4S
Exact Mass 489.033512 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7lR23gBSutv
Name propyl 2-{[(2,4,6-trichlorophenoxy)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/C21H22Cl3NO4S/c1-2-8-28-21(27)18-13-6-4-3-5-7-16(13)30-20(18)25-17(26)11-29-19-14(23)9-12(22)10-15(19)24/h9-10H,2-8,11H2,1H3,(H,25,26)
InChIKey KLWLJMWVMAABSL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5799
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/8174854; UBI_ID: UBI-005801
Temperature 318 °C