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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[(3,4-dimethoxyphenyl)methylene]-2-heptyl-5,6-dihydro-5-imino-, (6Z)-
SpectraBase Compound ID MM5G9hzzvu
InChI InChI=1S/C21H26N4O3S/c1-4-5-6-7-8-9-18-24-25-19(22)15(20(26)23-21(25)29-18)12-14-10-11-16(27-2)17(13-14)28-3/h10-13,22H,4-9H2,1-3H3/b15-12-,22-19?
InChIKey YCQFUYHXDIIOGK-FDXKLOFQSA-N
Mol Weight 414.52 g/mol
Molecular Formula C21H26N4O3S
Exact Mass 414.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EgdYtNkQK6A
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[(3,4-dimethoxyphenyl)methylene]-2-heptyl-5,6-dihydro-5-imino-, (6Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.172561884 u
Formula C21H26N4O3S
InChI InChI=1S/C21H26N4O3S/c1-4-5-6-7-8-9-18-24-25-19(22)15(20(26)23-21(25)29-18)12-14-10-11-16(27-2)17(13-14)28-3/h10-13,22H,4-9H2,1-3H3/b15-12-,22-19?
InChIKey YCQFUYHXDIIOGK-FDXKLOFQSA-N
Molecular Weight 414.524 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17038
Solvent DMSO-d6
Source Vendor ID: ZI/10033372; Lab Info: CEP; Lab Number: CEP-6700140