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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(2-chloro-4-nitrophenyl)-2-furanyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (6Z)-
SpectraBase Compound ID 2tRrRPSZiPR
InChI InChI=1S/C19H14ClN5O4S/c1-9(2)18-23-24-16(21)13(17(26)22-19(24)30-18)8-11-4-6-15(29-11)12-5-3-10(25(27)28)7-14(12)20/h3-9,21H,1-2H3/b13-8-,21-16?
InChIKey WGBIZGWGQDHFJQ-XUTOWMMVSA-N
Mol Weight 443.87 g/mol
Molecular Formula C19H14ClN5O4S
Exact Mass 443.045503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9VoBlvs93oV
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[5-(2-chloro-4-nitrophenyl)-2-furanyl]methylene]-5,6-dihydro-5-imino-2-(1-methylethyl)-, (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 443.045502821 u
Formula C19H14ClN5O4S
InChI InChI=1S/C19H14ClN5O4S/c1-9(2)18-23-24-16(21)13(17(26)22-19(24)30-18)8-11-4-6-15(29-11)12-5-3-10(25(27)28)7-14(12)20/h3-9,21H,1-2H3/b13-8-,21-16?
InChIKey WGBIZGWGQDHFJQ-XUTOWMMVSA-N
Molecular Weight 443.865 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17031
Solvent DMSO-d6
Source Vendor ID: ZI/10032209; Lab Info: CEP; Lab Number: CEP-6700217