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(6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)benzylidene]-5-imino-2-[2-oxo-2-(1-piperidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID FJ9BszQ6jSk
InChI InChI=1S/C27H25N5O5S/c28-25-20(26(34)29-27-32(25)30-23(38-27)14-24(33)31-10-2-1-3-11-31)12-17-4-7-19(8-5-17)35-15-18-6-9-21-22(13-18)37-16-36-21/h4-9,12-13,28H,1-3,10-11,14-16H2/b20-12-,28-25?
InChIKey TYIQWJXAMXNDBC-OCKHGHBESA-N
Mol Weight 531.59 g/mol
Molecular Formula C27H25N5O5S
Exact Mass 531.15764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KMWVCNPWDNv
Name (6Z)-6-[4-(1,3-benzodioxol-5-ylmethoxy)benzylidene]-5-imino-2-[2-oxo-2-(1-piperidinyl)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/C27H25N5O5S/c28-25-20(26(34)29-27-32(25)30-23(38-27)14-24(33)31-10-2-1-3-11-31)12-17-4-7-19(8-5-17)35-15-18-6-9-21-22(13-18)37-16-36-21/h4-9,12-13,28H,1-3,10-11,14-16H2/b20-12-,28-25?
InChIKey TYIQWJXAMXNDBC-OCKHGHBESA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21604
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: D55130; Labnumber: CEP5-0821; SBI_ID: SBI-021608
Synonyms 6-[4-(1,3-benzodioxol-5-ylmethoxy)benzylidene]-5-imino-2-[2-oxo-2-(1-piperidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C