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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-
SpectraBase Compound ID HyzK46wRdJA
InChI InChI=1S/C27H30N4O4S/c1-6-18-11-17(4)12-20(13-18)34-9-10-35-22-8-7-19(15-23(22)33-5)14-21-24(28)31-27(29-25(21)32)36-26(30-31)16(2)3/h7-8,11-16,28H,6,9-10H2,1-5H3/b21-14-,28-24?
InChIKey ZVQABERESOZPEU-WTPQPOPRSA-N
Mol Weight 506.62 g/mol
Molecular Formula C27H30N4O4S
Exact Mass 506.198777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4sPOuizX5AR
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(1-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.198776632 u
Formula C27H30N4O4S
InChI InChI=1S/C27H30N4O4S/c1-6-18-11-17(4)12-20(13-18)34-9-10-35-22-8-7-19(15-23(22)33-5)14-21-24(28)31-27(29-25(21)32)36-26(30-31)16(2)3/h7-8,11-16,28H,6,9-10H2,1-5H3/b21-14-,28-24?
InChIKey ZVQABERESOZPEU-WTPQPOPRSA-N
Molecular Weight 506.621 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15565
Solvent DMSO-d6
Source Vendor ID: ZI/10031093; Lab Info: CEP; Lab Number: CEP-6700581