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1,2,4,5-tetrazine-3-carboxylic acid, 1-(4-chlorophenyl)-1,4,5,6-tetrahydro-4-methyl-6-(2-nitrophenyl)-, ethyl ester

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1,2,4,5-tetrazine-3-carboxylic acid, 1-(4-chlorophenyl)-1,4,5,6-tetrahydro-4-methyl-6-(2-nitrophenyl)-, ethyl ester
SpectraBase Compound ID 9VF6v3rgy8P
InChI InChI=1S/C18H18ClN5O4/c1-3-28-18(25)17-21-23(13-10-8-12(19)9-11-13)16(20-22(17)2)14-6-4-5-7-15(14)24(26)27/h4-11,16,20H,3H2,1-2H3
InChIKey UHNHZBORLBMKOD-UHFFFAOYSA-N
Mol Weight 403.83 g/mol
Molecular Formula C18H18ClN5O4
Exact Mass 403.104732 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 18ETKzxJhYx
Name 1,2,4,5-tetrazine-3-carboxylic acid, 1-(4-chlorophenyl)-1,4,5,6-tetrahydro-4-methyl-6-(2-nitrophenyl)-, 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 403.104731776 u
Formula C18H18ClN5O4
InChI InChI=1S/C18H18ClN5O4/c1-3-28-18(25)17-21-23(13-10-8-12(19)9-11-13)16(20-22(17)2)14-6-4-5-7-15(14)24(26)27/h4-11,16,20H,3H2,1-2H3
InChIKey UHNHZBORLBMKOD-UHFFFAOYSA-N
Molecular Weight 403.826 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8668
Solvent DMSO-d6
Source Vendor ID: NMR/10211172; Lab Info: LP; Lab Number: LP-3902094