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[1,7-Dioxaspiro[5,5]undecan-2-yl]methyl - 3',5'-dinitrobenzoate
SpectraBase Compound ID DDrbmgS3Oo8
InChI InChI=1S/C17H20N2O8/c20-16(12-8-13(18(21)22)10-14(9-12)19(23)24)25-11-15-4-3-6-17(27-15)5-1-2-7-26-17/h8-10,15H,1-7,11H2
InChIKey NFEMAAQKORMTFN-UHFFFAOYSA-N
Mol Weight 380.35 g/mol
Molecular Formula C17H20N2O8
Exact Mass 380.121966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4djPmhiWCXX
Name [1,7-Dioxaspiro[5,5]undecan-2-yl]methyl - 3',5'-dinitrobenzoate
Alternate Name(s) 1,7-Dioxaspiro[5.5]undec-2-ylmethyl 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O8
InChI InChI=1S/C17H20N2O8/c20-16(12-8-13(18(21)22)10-14(9-12)19(23)24)25-11-15-4-3-6-17(27-15)5-1-2-7-26-17/h8-10,15H,1-7,11H2
InChIKey NFEMAAQKORMTFN-UHFFFAOYSA-N
Molecular Weight 380.353 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(OCC1OC2(OCCCC2)CCC1)=O
SPLASH splash10-0002-2901000000-ce94909088c7417b37f1
Source of Spectrum U-1995-27-25
Wiley ID 766418