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3,5-Dinitrobenzoic acid, 6-isopropenyl-3-methylcyclohex-3-enyl ester
SpectraBase Compound ID EmgqJbwvRGU
InChI InChI=1S/C17H18N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h4,7-9,15-16H,1,5-6H2,2-3H3
InChIKey NPBOSLGRMMRPSY-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C17H18N2O6
Exact Mass 346.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kxv4KGzrGgz
Name 3,5-DINITROBENZOIC ACID, 6-ISOPROPENYL-3-METHYL-CYCLOHEX-3-ENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H18N2O6
InChI InChI=1S/C17H18N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h4,7-9,15-16H,1,5-6H2,2-3H3
InChIKey NPBOSLGRMMRPSY-UHFFFAOYSA-N
Molecular Weight 346.1160
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(C(OC2C(C(=C)C)CC=C(C)C2)=O)c1
SPLASH splash10-00l5-6900000000-b21374bac130fd3e050a
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany