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N-[2-(2-cyano-4-nitroanilino)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide
SpectraBase Compound ID KP8HE9ViTCu
InChI InChI=1S/C21H20N6O6/c1-33-9-8-26-20(29)16-4-2-13(11-18(16)25-21(26)30)19(28)24-7-6-23-17-5-3-15(27(31)32)10-14(17)12-22/h2-5,10-11,23H,6-9H2,1H3,(H,24,28)(H,25,30)
InChIKey HZHUDMWLMSIHSM-UHFFFAOYSA-N
Mol Weight 452.43 g/mol
Molecular Formula C21H20N6O6
Exact Mass 452.144432 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID In80HKgGD1U
Name N-[2-(2-cyano-4-nitroanilino)ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.144432382 u
Formula C21H20N6O6
InChI InChI=1S/C21H20N6O6/c1-33-9-8-26-20(29)16-4-2-13(11-18(16)25-21(26)30)19(28)24-7-6-23-17-5-3-15(27(31)32)10-14(17)12-22/h2-5,10-11,23H,6-9H2,1H3,(H,24,28)(H,25,30)
InChIKey HZHUDMWLMSIHSM-UHFFFAOYSA-N
Molecular Weight 452.427 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6280
Solvent DMSO-d6
Source Vendor ID: NMR/12328396