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2-(2-chlorophenyl)-6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
SpectraBase Compound ID 5m35vYK2HwO
InChI InChI=1S/C16H19ClN4O4/c1-14(2)15(20(22)23)7-18-9-16(14,21(24)25)10-19(8-15)13(18)11-5-3-4-6-12(11)17/h3-6,13H,7-10H2,1-2H3/t13-,15-,16+
InChIKey AYKKHIDHZMNXEN-MKZZRHPPSA-N
Mol Weight 366.81 g/mol
Molecular Formula C16H19ClN4O4
Exact Mass 366.109483 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AH4YP4nbhCe
Name 2-(2-chlorophenyl)-6,6-dimethyl-5,7-dinitro-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/C16H19ClN4O4/c1-14(2)15(20(22)23)7-18-9-16(14,21(24)25)10-19(8-15)13(18)11-5-3-4-6-12(11)17/h3-6,13H,7-10H2,1-2H3/t13-,15-,16+
InChIKey AYKKHIDHZMNXEN-MKZZRHPPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10292
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: 136364; Labnumber: AENIC7-294; VK_ID: VK-010296
Temperature 318 °C