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isopropyl 4-(aminocarbonyl)-5-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID L8wOI0bnGrd
InChI InChI=1S/C20H20N2O6S/c1-10(2)28-20(25)17-11(3)16(18(21)24)19(29-17)22-15(23)7-5-12-4-6-13-14(8-12)27-9-26-13/h4-8,10H,9H2,1-3H3,(H2,21,24)(H,22,23)/b7-5+
InChIKey AYDKQWNBCUIFHZ-FNORWQNLSA-N
Mol Weight 416.45 g/mol
Molecular Formula C20H20N2O6S
Exact Mass 416.104208 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8U0WStxmBzY
Name isopropyl 4-(aminocarbonyl)-5-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-3-methyl-2-thiophenecarboxylate
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/C20H20N2O6S/c1-10(2)28-20(25)17-11(3)16(18(21)24)19(29-17)22-15(23)7-5-12-4-6-13-14(8-12)27-9-26-13/h4-8,10H,9H2,1-3H3,(H2,21,24)(H,22,23)/b7-5+
InChIKey AYDKQWNBCUIFHZ-FNORWQNLSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3291
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/8085950; UBI_ID: UBI-003292
Synonyms isopropyl 4-(aminocarbonyl)-5-{[3-(1,3-benzodioxol-5-yl)-2-propenoyl]amino}-3-methyl-2-thiophenecarboxylate
Temperature 318 °C