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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-(phenylmethoxy)phenyl]methylene]-2-propyl-, (6Z)-
SpectraBase Compound ID 2Ma1gQmBqRF
InChI InChI=1S/C22H20N4O2S/c1-2-6-19-25-26-20(23)18(21(27)24-22(26)29-19)13-15-9-11-17(12-10-15)28-14-16-7-4-3-5-8-16/h3-5,7-13,23H,2,6,14H2,1H3/b18-13-,23-20?
InChIKey HDZYXNBYOMDPFD-YEZNUIPASA-N
Mol Weight 404.49 g/mol
Molecular Formula C22H20N4O2S
Exact Mass 404.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQLMlB4H3zR
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-5-imino-6-[[4-(phenylmethoxy)phenyl]methylene]-2-propyl-, (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 404.130697072 u
Formula C22H20N4O2S
InChI InChI=1S/C22H20N4O2S/c1-2-6-19-25-26-20(23)18(21(27)24-22(26)29-19)13-15-9-11-17(12-10-15)28-14-16-7-4-3-5-8-16/h3-5,7-13,23H,2,6,14H2,1H3/b18-13-,23-20?
InChIKey HDZYXNBYOMDPFD-YEZNUIPASA-N
Molecular Weight 404.488 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15567
Solvent DMSO-d6
Source Vendor ID: ZI/10031784; Lab Info: CEP; Lab Number: CEP-6700113