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ethyl 2-{[(benzylamino)carbothioyl]amino}-5-isopropyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
SpectraBase Compound ID CM5TEt5ec6r
InChI InChI=1S/C21H26N2O3S2/c1-4-25-20(24)18-15-10-16(13(2)3)26-12-17(15)28-19(18)23-21(27)22-11-14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3,(H2,22,23,27)
InChIKey JVQGRIZIAZTRPP-UHFFFAOYSA-N
Mol Weight 418.57 g/mol
Molecular Formula C21H26N2O3S2
Exact Mass 418.138485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6XMuStxZwVh
Name ethyl 2-{[(benzylamino)carbothioyl]amino}-5-isopropyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.138485050 u
Formula C21H26N2O3S2
InChI InChI=1S/C21H26N2O3S2/c1-4-25-20(24)18-15-10-16(13(2)3)26-12-17(15)28-19(18)23-21(27)22-11-14-8-6-5-7-9-14/h5-9,13,16H,4,10-12H2,1-3H3,(H2,22,23,27)
InChIKey JVQGRIZIAZTRPP-UHFFFAOYSA-N
Molecular Weight 418.570 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1992
Solvent DMSO-d6
Source Vendor ID: NMR/12278755