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6,6-dimethyl-5,7-dinitro-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
SpectraBase Compound ID CkalfpRBYXB
InChI InChI=1S/C14H18N4O4S/c1-12(2)13(17(19)20)6-15-8-14(12,18(21)22)9-16(7-13)11(15)10-4-3-5-23-10/h3-5,11H,6-9H2,1-2H3/t11-,13-,14+
InChIKey GTMIQSSLOPTCST-DEZZGGKRSA-N
Mol Weight 338.38 g/mol
Molecular Formula C14H18N4O4S
Exact Mass 338.104876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ZF4FaYoTkM
Name 6,6-dimethyl-5,7-dinitro-2-(2-thienyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decane
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/C14H18N4O4S/c1-12(2)13(17(19)20)6-15-8-14(12,18(21)22)9-16(7-13)11(15)10-4-3-5-23-10/h3-5,11H,6-9H2,1-2H3/t11-,13-,14+
InChIKey GTMIQSSLOPTCST-DEZZGGKRSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15592
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: C74309; Labnumber: AENIC7-905; SBI_ID: SBI-015595
Temperature 308 °C