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3,5-Dinitrobenzoic acid, 3,7,11-trimethyldodeca-2,6,10-trienyl ester
SpectraBase Compound ID ahzUlK5Ihw
InChI InChI=1S/C22H28N2O6/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-30-22(25)19-13-20(23(26)27)15-21(14-19)24(28)29/h7,9,11,13-15H,5-6,8,10,12H2,1-4H3/b17-9+,18-11+
InChIKey USBMHHFLANDNDS-XURGJTJWSA-N
Mol Weight 416.47 g/mol
Molecular Formula C22H28N2O6
Exact Mass 416.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKbYSkikxv
Name 3,5-DINITROBENZOIC ACID, 3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H28N2O6
InChI InChI=1S/C22H28N2O6/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-30-22(25)19-13-20(23(26)27)15-21(14-19)24(28)29/h7,9,11,13-15H,5-6,8,10,12H2,1-4H3/b17-9+,18-11+
InChIKey USBMHHFLANDNDS-XURGJTJWSA-N
Molecular Weight 416.1940
SMILES C(\C=C/(C)CC\C=C/(C)CCC=C(C)C)OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O
SPLASH splash10-014i-9400000000-25651f47a3d5fc6a23f7
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany