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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[4-(1-phenylethoxy)phenyl]methylene]-, (6Z)-
SpectraBase Compound ID HuGdDUP6Ia9
InChI InChI=1S/C23H22N4O2S/c1-14(2)22-26-27-20(24)19(21(28)25-23(27)30-22)13-16-9-11-18(12-10-16)29-15(3)17-7-5-4-6-8-17/h4-15,24H,1-3H3/b19-13-,24-20?
InChIKey QLCQBCXYUBJIQD-RYEIUNSYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C23H22N4O2S
Exact Mass 418.146347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5mwygVWt55d
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-2-(1-methylethyl)-6-[[4-(1-phenylethoxy)phenyl]methylene]-, (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 418.146347136 u
Formula C23H22N4O2S
InChI InChI=1S/C23H22N4O2S/c1-14(2)22-26-27-20(24)19(21(28)25-23(27)30-22)13-16-9-11-18(12-10-16)29-15(3)17-7-5-4-6-8-17/h4-15,24H,1-3H3/b19-13-,24-20?
InChIKey QLCQBCXYUBJIQD-RYEIUNSYSA-N
Molecular Weight 418.515 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17034
Solvent DMSO-d6
Source Vendor ID: ZI/10032706; Lab Info: CEP; Lab Number: CEP-6700146