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methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID LQmMbo1Mn81
InChI InChI=1S/C22H25NO4S/c1-26-22(25)20-17-8-3-2-4-9-18(17)28-21(20)23-19(24)13-27-16-11-10-14-6-5-7-15(14)12-16/h10-12H,2-9,13H2,1H3,(H,23,24)
InChIKey XZDZVZHPHFXZDD-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C22H25NO4S
Exact Mass 399.150429 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IzuQnvzRLXe
Name methyl 2-{[(2,3-dihydro-1H-inden-5-yloxy)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/C22H25NO4S/c1-26-22(25)20-17-8-3-2-4-9-18(17)28-21(20)23-19(24)13-27-16-11-10-14-6-5-7-15(14)12-16/h10-12H,2-9,13H2,1H3,(H,23,24)
InChIKey XZDZVZHPHFXZDD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20102
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/9157852; UBI_ID: UBI-020106
Temperature 318 °C