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isopropyl 9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
SpectraBase Compound ID 41SkUDC02ER
InChI InChI=1S/C15H18N2O3S/c1-8(2)19-13(18)11-12-9-6-4-5-7-10(9)20-15(11,3)17-14(21)16-12/h4-8,11-12H,1-3H3,(H2,16,17,21)/t11?,12-,15+/m0/s1
InChIKey XPIMPAKFPWKGIR-WQKBPTQTSA-N
Mol Weight 306.38 g/mol
Molecular Formula C15H18N2O3S
Exact Mass 306.103814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CiVEKWreU76
Name isopropyl 9-methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-triene-13-carboxylate
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/C15H18N2O3S/c1-8(2)19-13(18)11-12-9-6-4-5-7-10(9)20-15(11,3)17-14(21)16-12/h4-8,11-12H,1-3H3,(H2,16,17,21)/t11?,12-,15+/m0/s1
InChIKey XPIMPAKFPWKGIR-WQKBPTQTSA-N
NMR Offset 15.3512
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI_21270_16257
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/8087705; UBI_ID: UBI-016260
Temperature 313 °C