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ethyl 5-methyl-2-[(2-naphthylmethyl)sulfanyl]-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

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ethyl 5-methyl-2-[(2-naphthylmethyl)sulfanyl]-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 7hu1cL3UNBR
InChI InChI=1S/C26H23N5O4S/c1-3-35-24(32)22-16(2)27-25-28-26(36-15-17-11-12-18-7-4-5-8-19(18)13-17)29-30(25)23(22)20-9-6-10-21(14-20)31(33)34/h4-14,23H,3,15H2,1-2H3,(H,27,28,29)
InChIKey KRPXNZFSMKGNTL-UHFFFAOYSA-N
Mol Weight 501.56 g/mol
Molecular Formula C26H23N5O4S
Exact Mass 501.147075 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DCALc9ITWU6
Name ethyl 5-methyl-2-[(2-naphthylmethyl)sulfanyl]-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.147075411 u
Formula C26H23N5O4S
InChI InChI=1S/C26H23N5O4S/c1-3-35-24(32)22-16(2)27-25-28-26(36-15-17-11-12-18-7-4-5-8-19(18)13-17)29-30(25)23(22)20-9-6-10-21(14-20)31(33)34/h4-14,23H,3,15H2,1-2H3,(H,27,28,29)
InChIKey KRPXNZFSMKGNTL-UHFFFAOYSA-N
Molecular Weight 501.561 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6697
Solvent DMSO-d6
Source Vendor ID: NMR/12329022