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ethyl 2-{[(Z)-(3-oxo-1-benzothien-2(3H)-ylidene)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID IB69P8uyFNT
InChI InChI=1S/C21H21NO3S2/c1-2-25-21(24)18-13-8-4-3-5-10-15(13)27-20(18)22-12-17-19(23)14-9-6-7-11-16(14)26-17/h6-7,9,11-12,22H,2-5,8,10H2,1H3/b17-12-
InChIKey DRCKHGWUXLNEPJ-ATVHPVEESA-N
Mol Weight 399.52 g/mol
Molecular Formula C21H21NO3S2
Exact Mass 399.096286 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 96rZ8C4Ym0x
Name ethyl 2-{[(Z)-(3-oxo-1-benzothien-2(3H)-ylidene)methyl]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/C21H21NO3S2/c1-2-25-21(24)18-13-8-4-3-5-10-15(13)27-20(18)22-12-17-19(23)14-9-6-7-11-16(14)26-17/h6-7,9,11-12,22H,2-5,8,10H2,1H3/b17-12-
InChIKey DRCKHGWUXLNEPJ-ATVHPVEESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3890
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: D99898; Labnumber: RRYB-1375-1; SBI_ID: SBI-003892
Synonyms ethyl 2-{[(3-oxo-1-benzothien-2(3H)-ylidene)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Temperature 315 °C