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isopropyl 2-{[(4-methoxyphenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID CkmlbDGVZNV
InChI InChI=1S/C22H27NO4S/c1-14(2)27-22(25)20-17-7-5-4-6-8-18(17)28-21(20)23-19(24)13-15-9-11-16(26-3)12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,23,24)
InChIKey SWCPJAKGVWJHTB-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 EaBlVUiHNIx
Name isopropyl 2-{[(4-methoxyphenyl)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/c1-14(2)27-22(25)20-17-7-5-4-6-8-18(17)28-21(20)23-19(24)13-15-9-11-16(26-3)12-10-15/h9-12,14H,4-8,13H2,1-3H3,(H,23,24)
InChIKey SWCPJAKGVWJHTB-UHFFFAOYSA-N
NMR Offset 19.4114
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_13146
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/8047905; Labnumber: NSB0023645; UZI_ID: UZI-013150
Temperature 313 °C