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4-Amino-5-cyano-2-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-3-azaspiro[5.5]undeca-1,3-diene-1-carboxamide
SpectraBase Compound ID KocG5qPW8JA
InChI InChI=1S/C17H20N6O2S2/c18-8-10-13(19)23-15(27-9-11(24)22-16-21-6-7-26-16)12(14(20)25)17(10)4-2-1-3-5-17/h6-7,10H,1-5,9H2,(H2,19,23)(H2,20,25)(H,21,22,24)
InChIKey NYLMDIWSFXZHGZ-UHFFFAOYSA-N
Mol Weight 404.51 g/mol
Molecular Formula C17H20N6O2S2
Exact Mass 404.108916 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Grbq4EheWrM
Name 3-azaspiro[5.5]undeca-1,3-diene-1-carboxamide, 4-amino-5-cyano-2-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.108916254 u
Formula C17H20N6O2S2
InChI InChI=1S/C17H20N6O2S2/c18-8-10-13(19)23-15(27-9-11(24)22-16-21-6-7-26-16)12(14(20)25)17(10)4-2-1-3-5-17/h6-7,10H,1-5,9H2,(H2,19,23)(H2,20,25)(H,21,22,24)
InChIKey NYLMDIWSFXZHGZ-UHFFFAOYSA-N
Molecular Weight 404.507 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17244
Solvent DMSO-d6
Source Vendor ID: NMR/10322268; Lab Info: DVD; Lab Number: DVD-0120100