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1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]piperazine

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1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]piperazine
SpectraBase Compound ID 6Za7BjU1vdl
InChI InChI=1S/C23H29N5O7/c1-16-21(24-25-28(16)17-5-7-18(32-2)8-6-17)23(31)35-14-13-26-9-11-27(12-10-26)19(22(30)34-4)15-20(29)33-3/h5-8,15H,9-14H2,1-4H3/b19-15+
InChIKey BWIJGWRZQYQBEN-XDJHFCHBSA-N
Mol Weight 487.51 g/mol
Molecular Formula C23H29N5O7
Exact Mass 487.206698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJ9YdnIGNqT
Name 1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(1-(4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.206698287 u
Formula C23H29N5O7
InChI InChI=1S/C23H29N5O7/c1-16-21(24-25-28(16)17-5-7-18(32-2)8-6-17)23(31)35-14-13-26-9-11-27(12-10-26)19(22(30)34-4)15-20(29)33-3/h5-8,15H,9-14H2,1-4H3/b19-15+
InChIKey BWIJGWRZQYQBEN-XDJHFCHBSA-N
Molecular Weight 487.513 g/mol
SMILES CC=1N(N=NC1C(OCCN1CCN(CC1)\C(C(=O)OC)=C/C(OC)=O)=O)C1=CC=C(C=C1)OC