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1H-1,2,4-triazole-3-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-4,5-dihydro-, ethyl ester

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1H-1,2,4-triazole-3-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-4,5-dihydro-, ethyl ester
SpectraBase Compound ID 8P20Xbk7Ups
InChI InChI=1S/C28H29ClN4O4/c1-4-31(5-2)21-12-14-22(15-13-21)32-26(28(34)35-6-3)30-33(23-10-8-20(29)9-11-23)27(32)19-7-16-24-25(17-19)37-18-36-24/h7-17,27H,4-6,18H2,1-3H3
InChIKey LYPDJOJQJQVDGP-UHFFFAOYSA-N
Mol Weight 521.02 g/mol
Molecular Formula C28H29ClN4O4
Exact Mass 520.187733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IL5w84Bs6vR
Name 1H-1,2,4-triazole-3-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-[4-(diethylamino)phenyl]-4,5-dihydro-, 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 520.187733126 u
Formula C28H29ClN4O4
InChI InChI=1S/C28H29ClN4O4/c1-4-31(5-2)21-12-14-22(15-13-21)32-26(28(34)35-6-3)30-33(23-10-8-20(29)9-11-23)27(32)19-7-16-24-25(17-19)37-18-36-24/h7-17,27H,4-6,18H2,1-3H3
InChIKey LYPDJOJQJQVDGP-UHFFFAOYSA-N
Molecular Weight 521.017 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8664
Solvent DMSO-d6
Source Vendor ID: NMR/10211146; Lab Info: LP; Lab Number: LP-3902068