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_id
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I972wfSTpsy
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I972wfSTpsy
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NY3X:16332:1
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analyticalTechnique
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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1-[2-(3,4-diethoxyphenyl)ethyl]-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID JHVWgTju3NM
InChI InChI=1S/C21H22F6N4O4/c1-4-34-13-7-6-12(10-14(13)35-5-2)8-9-31-16-15(17(32)29-18(31)33)19(20(22,23)24,21(25,26)27)30-11(3)28-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,28,30)(H,29,32,33)
InChIKey LXKVYBXYBQKNPF-UHFFFAOYSA-N
Mol Weight 508.42 g/mol
Molecular Formula C21H22F6N4O4
Exact Mass 508.154524 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I972wfSTpsy
Name pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-[2-(3,4-diethoxyphenyl)ethyl]-5,8-dihydro-7-methyl-5,5-bis(trifluoromethyl)-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.154524178 u
Formula C21H22F6N4O4
InChI InChI=1S/C21H22F6N4O4/c1-4-34-13-7-6-12(10-14(13)35-5-2)8-9-31-16-15(17(32)29-18(31)33)19(20(22,23)24,21(25,26)27)30-11(3)28-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,28,30)(H,29,32,33)
InChIKey LXKVYBXYBQKNPF-UHFFFAOYSA-N
Molecular Weight 508.421 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16332
Solvent DMSO-d6
Source Vendor ID: NMR/11250409; Lab Info: AU; Lab Number: AU-01040001
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