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methyl 2-{[(4,5-dimethyl-3-isoxazolyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 3zDsZBhE02E
InChI InChI=1S/C17H20N2O4S/c1-9-10(2)23-19-14(9)15(20)18-16-13(17(21)22-3)11-7-5-4-6-8-12(11)24-16/h4-8H2,1-3H3,(H,18,20)
InChIKey WWROQPYAXWHUSQ-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C17H20N2O4S
Exact Mass 348.114378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CMNAJAqhQCw
Name methyl 2-{[(4,5-dimethyl-3-isoxazolyl)carbonyl]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/C17H20N2O4S/c1-9-10(2)23-19-14(9)15(20)18-16-13(17(21)22-3)11-7-5-4-6-8-12(11)24-16/h4-8H2,1-3H3,(H,18,20)
InChIKey WWROQPYAXWHUSQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32983
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: 1911851; SBI_ID: SBI-032987
Temperature 318 °C