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1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester)
SpectraBase Compound ID JVJEnTslY0i
InChI InChI=1S/C4H6N4O11/c9-5(10)4(1-17-6(11)12,2-18-7(13)14)3-19-8(15)16/h1-3H2
InChIKey LQVCBLBPWSZOPA-UHFFFAOYSA-N
Mol Weight 286.11 g/mol
Molecular Formula C4H6N4O11
Exact Mass 286.003307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWjExL1zbbF
Name 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester)
CAS Registry Number 20820-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H6N4O11
InChI InChI=1S/C4H6N4O11/c9-5(10)4(1-17-6(11)12,2-18-7(13)14)3-19-8(15)16/h1-3H2
InChIKey LQVCBLBPWSZOPA-UHFFFAOYSA-N
Molecular Weight 286.109 g/mol
SMILES C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-])O[N+](=O)[O-]
SPLASH splash10-0002-9000000000-049427d7c74bff1b0b32
Source of Spectrum JX-2015-6-2415
Synonyms 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, trinitrate 1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, trinitrate (ester) 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate Nitroisobutanetriol trinitrate Nitroisobutyl glyceryl trinitrate 2-Nitro-2-nitrooxymethyl-1,3-propane-diol dinitrate Nitroisobutylglycerol trinitrate [2-nitro-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate Nitroisobutylglycol trinitrate Trimethylolnitromethane trinitrate 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, 1,3-dinitrate
Wiley ID 1728303