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ethyl 5-isopropyl-2-[(4-toluidinocarbothioyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
SpectraBase Compound ID EQrKzOKglTC
InChI InChI=1S/C21H26N2O3S2/c1-5-25-20(24)18-15-10-16(12(2)3)26-11-17(15)28-19(18)23-21(27)22-14-8-6-13(4)7-9-14/h6-9,12,16H,5,10-11H2,1-4H3,(H2,22,23,27)
InChIKey HCZSYRNRPHPCAP-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 A3pGMJKOupn
Name ethyl 5-isopropyl-2-[(4-toluidinocarbothioyl)amino]-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/c1-5-25-20(24)18-15-10-16(12(2)3)26-11-17(15)28-19(18)23-21(27)22-14-8-6-13(4)7-9-14/h6-9,12,16H,5,10-11H2,1-4H3,(H2,22,23,27)
InChIKey HCZSYRNRPHPCAP-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_2028
Solvent DMSO-d6
Source Vendor ID: NMR/12278797