Bicyclo[6.2.2]dodeca-9,11-diene-9,10-dicarboxylic acid, 1,8-dinitro-, diethyl ester

SpectraBase Compound ID	HE6KLizH4Lu
InChI	InChI=1S/C18H24N2O8/c1-3-27-15(21)13-14(16(22)28-4-2)18(20(25)26)10-8-6-5-7-9-17(13,11-12-18)19(23)24/h11-12H,3-10H2,1-2H3
InChIKey	HTUJPWOVHCGWAN-UHFFFAOYSA-N Google Search
Mol Weight	396.4 g/mol
Molecular Formula	C18H24N2O8
Exact Mass	396.153266 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	LiBBBkeWrIz
Name	Bicyclo[6.2.2]dodeca-9,11-diene-9,10-dicarboxylic acid, 1,8-dinitro-, diethyl ester
Alternate Name(s)	1,8-Dinitrobicyclo[6.2.2]dodeca-9,10-dicarbonsaure-diethylester diethyl 1,8-dinitrobicyclo[6.2.2]dodeca-9,11-diene-9,10-dicarboxylate
CAS Registry Number	101410-49-5
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H24N2O8
InChI	InChI=1S/C18H24N2O8/c1-3-27-15(21)13-14(16(22)28-4-2)18(20(25)26)10-8-6-5-7-9-17(13,11-12-18)19(23)24/h11-12H,3-10H2,1-2H3
InChIKey	HTUJPWOVHCGWAN-UHFFFAOYSA-N
Molecular Weight	396.396 g/mol
SMILES	C1(=C(C2(N(=O)=O)CCCCCCC1(N(=O)=O)C=C2)C(=O)OCC)C(=O)OCC
SPLASH	splash10-0a4i-0090000000-f4ae760ba593a467f759
Source of Spectrum	K-118-4167-4
Wiley ID	1367291