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dimethyl 2-({[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]carbothioyl}amino)succinate
SpectraBase Compound ID 95woPhcLlpI
InChI InChI=1S/C18H23N3O5S/c1-25-16(23)7-13(17(24)26-2)19-18(27)20-8-11-6-12(10-20)14-4-3-5-15(22)21(14)9-11/h3-5,11-13H,6-10H2,1-2H3,(H,19,27)
InChIKey AXQDYRNYPVQJIH-UHFFFAOYSA-N
Mol Weight 393.46 g/mol
Molecular Formula C18H23N3O5S
Exact Mass 393.135842 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4L54eWz8SOU
Name dimethyl 2-({[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]carbothioyl}amino)succinate
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/C18H23N3O5S/c1-25-16(23)7-13(17(24)26-2)19-18(27)20-8-11-6-12(10-20)14-4-3-5-15(22)21(14)9-11/h3-5,11-13H,6-10H2,1-2H3,(H,19,27)
InChIKey AXQDYRNYPVQJIH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12212
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: D59380; Labnumber: NCOBK-0716; SBI_ID: SBI-012215
Synonyms dimethyl 2-({[6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]carbothioyl}amino)succinate
Temperature 318 °C