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Azulene, 1-(2,4-dinitrobutyl)-3-(2-nitroethyl)-
SpectraBase Compound ID 5xp3dVagNoq
InChI InChI=1S/C16H17N3O6/c20-17(21)8-6-12-10-13(16-5-3-1-2-4-15(12)16)11-14(19(24)25)7-9-18(22)23/h1-5,10,14H,6-9,11H2
InChIKey SOYLGVMKCOEWHB-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C16H17N3O6
Exact Mass 347.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BW7rZ9NUwse
Name Azulene, 1-(2,4-dinitrobutyl)-3-(2-nitroethyl)-
Alternate Name(s) 1-(2,4-Dinitrobutyl)-3-(2-nitroethyl)azulene
CAS Registry Number 96995-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O6
InChI InChI=1S/C16H17N3O6/c20-17(21)8-6-12-10-13(16-5-3-1-2-4-15(12)16)11-14(19(24)25)7-9-18(22)23/h1-5,10,14H,6-9,11H2
InChIKey SOYLGVMKCOEWHB-UHFFFAOYSA-N
Molecular Weight 347.327 g/mol
SMILES c1(c2c(ccccc2)c(c1)CCN(=O)=O)CC(N(=O)=O)CCN(=O)=O
SPLASH splash10-0udi-0978000000-fade61b2f1ed74acad22
Source of Spectrum AJ-58-370-8
Wiley ID 1339923