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isopropyl 2-{[(4,5-dimethyl-3-isoxazolyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GVkzV4MOaEi
InChI InChI=1S/C18H22N2O4S/c1-9(2)23-18(22)14-12-7-5-6-8-13(12)25-17(14)19-16(21)15-10(3)11(4)24-20-15/h9H,5-8H2,1-4H3,(H,19,21)
InChIKey PEDQVKTXBLSBHC-UHFFFAOYSA-N
Mol Weight 362.44 g/mol
Molecular Formula C18H22N2O4S
Exact Mass 362.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5IvCxMo9jvc
Name isopropyl 2-{[(4,5-dimethyl-3-isoxazolyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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/C18H22N2O4S/c1-9(2)23-18(22)14-12-7-5-6-8-13(12)25-17(14)19-16(21)15-10(3)11(4)24-20-15/h9H,5-8H2,1-4H3,(H,19,21)
InChIKey PEDQVKTXBLSBHC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33167
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: 1912143; SBI_ID: SBI-033171
Temperature 318 °C