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(2E)-2-{(2E)-2-[3-(1,3-benzodioxol-5-yl)-1-methylpropylidene]hydrazono}-N-(4-chlorophenyl)-4-oxo-1,3-thiazinane-6-
SpectraBase Compound ID EoDbOzwIIcw
InChI InChI=1S/C22H21ClN4O4S/c1-13(2-3-14-4-9-17-18(10-14)31-12-30-17)26-27-22-25-20(28)11-19(32-22)21(29)24-16-7-5-15(23)6-8-16/h4-10,19H,2-3,11-12H2,1H3,(H,24,29)(H,25,27,28)/b26-13+
InChIKey DKOARVRESPVBSX-LGJNPRDNSA-N
Mol Weight 472.95 g/mol
Molecular Formula C22H21ClN4O4S
Exact Mass 472.097204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A3dVztKdpBR
Name (2E)-2-{(2E)-2-[3-(1,3-benzodioxol-5-yl)-1-methylpropylidene]hydrazono}-N-(4-chlorophenyl)-4-oxo-1,3-thiazinane-6-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 472.097204042 u
Formula C22H21ClN4O4S
InChI InChI=1S/C22H21ClN4O4S/c1-13(2-3-14-4-9-17-18(10-14)31-12-30-17)26-27-22-25-20(28)11-19(32-22)21(29)24-16-7-5-15(23)6-8-16/h4-10,19H,2-3,11-12H2,1H3,(H,24,29)(H,25,27,28)/b26-13+
InChIKey DKOARVRESPVBSX-LGJNPRDNSA-N
Molecular Weight 472.947 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1474
Solvent DMSO-d6
Source Vendor ID: NMR/12269847