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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]phenyl]methylene]-5,6-dihydro-5-imino-2-(1-
SpectraBase Compound ID KlkPBEPen6A
InChI InChI=1S/C27H30N4O4S/c1-17(2)26-30-31-24(28)23(25(32)29-27(31)36-26)16-20-6-9-21(10-7-20)34-13-11-33-12-14-35-22-8-5-18(3)19(4)15-22/h5-10,15-17,28H,11-14H2,1-4H3/b23-16-,28-24?
InChIKey CSHASSQKLKDHHB-CLKZTBQTSA-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 4lpgSBohrWe
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]phenyl]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/c1-17(2)26-30-31-24(28)23(25(32)29-27(31)36-26)16-20-6-9-21(10-7-20)34-13-11-33-12-14-35-22-8-5-18(3)19(4)15-22/h5-10,15-17,28H,11-14H2,1-4H3/b23-16-,28-24?
InChIKey CSHASSQKLKDHHB-CLKZTBQTSA-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_15612
Solvent DMSO-d6
Source Vendor ID: ZI/10032650; Lab Info: CEP; Lab Number: CEP-6700582