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(6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxybenzylidene]-5-imino-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 2FfIqxHWvkh
InChI InChI=1S/C27H25N5O6S/c1-35-21-11-16(4-6-19(21)36-14-17-5-7-20-22(12-17)38-15-37-20)10-18-25(28)32-27(29-26(18)34)39-23(30-32)13-24(33)31-8-2-3-9-31/h4-7,10-12,28H,2-3,8-9,13-15H2,1H3/b18-10-,28-25?
InChIKey KFDZLCWVXGUBMA-VUYOJKQISA-N
Mol Weight 547.59 g/mol
Molecular Formula C27H25N5O6S
Exact Mass 547.152555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EeuU2A3Hot7
Name (6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxybenzylidene]-5-imino-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C27H25N5O6S/c1-35-21-11-16(4-6-19(21)36-14-17-5-7-20-22(12-17)38-15-37-20)10-18-25(28)32-27(29-26(18)34)39-23(30-32)13-24(33)31-8-2-3-9-31/h4-7,10-12,28H,2-3,8-9,13-15H2,1H3/b18-10-,28-25?
InChIKey KFDZLCWVXGUBMA-VUYOJKQISA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21611
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: D55146; Labnumber: CEP5-1124; SBI_ID: SBI-021615
Synonyms 6-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxybenzylidene]-5-imino-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C