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PENTAERYTHRITOL-TETRANITRATE;PETN
SpectraBase Compound ID EJNJFCwQ6CQ
InChI InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
InChIKey TZRXHJWUDPFEEY-UHFFFAOYSA-N
Mol Weight 316.14 g/mol
Molecular Formula C5H8N4O12
Exact Mass 316.013872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wBC19xQBQ
Name Pentaerythritol tetranitrate ester
CAS Registry Number 78-11-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H8N4O12
InChI InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
InChIKey TZRXHJWUDPFEEY-UHFFFAOYSA-N
Instrument Name Varian FT-80
Literature Reference S. Narasimhan, N. Venkatasubramanian, Magn. Res. Chem. 25, 91 (1987).
NMR Standard TMS Ext.
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone