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(6Z)-6-[4-(dimethylamino)benzylidene]-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID B78Bw6KFoS3
InChI InChI=1S/C21H27N5OS/c1-4-5-6-7-8-9-18-24-26-19(22)17(20(27)23-21(26)28-18)14-15-10-12-16(13-11-15)25(2)3/h10-14,22H,4-9H2,1-3H3/b17-14-,22-19?
InChIKey CYUVFNGXRPTMLI-JWGSSVRRSA-N
Mol Weight 397.54 g/mol
Molecular Formula C21H27N5OS
Exact Mass 397.193632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5A8Q0KR2u2E
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-(dimethylamino)phenyl]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 397.193631682 u
Formula C21H27N5OS
InChI InChI=1S/C21H27N5OS/c1-4-5-6-7-8-9-18-24-26-19(22)17(20(27)23-21(26)28-18)14-15-10-12-16(13-11-15)25(2)3/h10-14,22H,4-9H2,1-3H3/b17-14-,22-19?
InChIKey CYUVFNGXRPTMLI-JWGSSVRRSA-N
Molecular Weight 397.541 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17027
Solvent DMSO-d6
Source Vendor ID: ZI/10030183; Lab Info: CEP; Lab Number: CEP-6700101