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2-Benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester

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2-Benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 3HJ93fWiREr
InChI InChI=1S/C25H23ClN4O3/c1-3-33-25(32)22-27-29(21-16-14-20(26)15-17-21)23(18-10-6-4-7-11-18)30(28(22)2)24(31)19-12-8-5-9-13-19/h4-17,23H,3H2,1-2H3
InChIKey POYNHEORDQEREZ-UHFFFAOYSA-N
Mol Weight 462.94 g/mol
Molecular Formula C25H23ClN4O3
Exact Mass 462.145868 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FR5lzV2SK1B
Name 1,2,4,5-tetrazine-3-carboxylic acid, 1-benzoyl-5-(4-chlorophenyl)-1,2,5,6-tetrahydro-2-methyl-6-phenyl-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.145868314 u
Formula C25H23ClN4O3
InChI InChI=1S/C25H23ClN4O3/c1-3-33-25(32)22-27-29(21-16-14-20(26)15-17-21)23(18-10-6-4-7-11-18)30(28(22)2)24(31)19-12-8-5-9-13-19/h4-17,23H,3H2,1-2H3
InChIKey POYNHEORDQEREZ-UHFFFAOYSA-N
Molecular Weight 462.937 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11094
Solvent DMSO-d6
Source Vendor ID: NMR/10251351; Lab Info: LP; Lab Number: LP-3902065