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ethyl 4-{[(4,6-dioxo-5-(2,3,5,6-tetrafluorophenyl)-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetyl]amino}benzoate

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ethyl 4-{[(4,6-dioxo-5-(2,3,5,6-tetrafluorophenyl)-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetyl]amino}benzoate
SpectraBase Compound ID ELkRS1Zy2Ds
InChI InChI=1S/C21H15F4N5O5/c1-2-35-21(34)9-3-5-10(6-4-9)26-13(31)8-29-18-16(27-28-29)19(32)30(20(18)33)17-14(24)11(22)7-12(23)15(17)25/h3-7,16,18H,2,8H2,1H3,(H,26,31)
InChIKey WYLIDOWQSVYIOH-UHFFFAOYSA-N
Mol Weight 493.37 g/mol
Molecular Formula C21H15F4N5O5
Exact Mass 493.100931 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5pasg4O4Oex
Name ethyl 4-{[(4,6-dioxo-5-(2,3,5,6-tetrafluorophenyl)-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl)acetyl]amino}benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H15F4N5O5/c1-2-35-21(34)9-3-5-10(6-4-9)26-13(31)8-29-18-16(27-28-29)19(32)30(20(18)33)17-14(24)11(22)7-12(23)15(17)25/h3-7,16,18H,2,8H2,1H3,(H,26,31)
InChIKey WYLIDOWQSVYIOH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9051
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1264563; Labnumber: Gbb0303; UZI_ID: UZI-009053
Temperature 318 °C