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1,4-Cyclohexadiene-1-butanol, 2-methoxy-.delta.,4-dimethyl-, 3,5-dinitrobenzoate
SpectraBase Compound ID 6HxJv5HIpkB
InChI InChI=1S/C20H24N2O7/c1-13-6-7-18(19(9-13)28-3)14(2)5-4-8-29-20(23)15-10-16(21(24)25)12-17(11-15)22(26)27/h6,10-12,14H,4-5,7-9H2,1-3H3
InChIKey GXFJVMMSARGTRB-UHFFFAOYSA-N
Mol Weight 404.42 g/mol
Molecular Formula C20H24N2O7
Exact Mass 404.158351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 965KYjwYGUM
Name 1,4-Cyclohexadiene-1-butanol, 2-methoxy-.delta.,4-dimethyl-, 3,5-dinitrobenzoate
Alternate Name(s) 3,5-Dinitrobenzoate of 4-(2'-methoxy-4'-methylcyclohexa-1',4'-dien-1'-yl)pentan-1-ol 4-(2-Methoxy-4-methyl-1,4-cyclohexadien-1-yl)pentyl 3,5-dinitrobenzoate
CAS Registry Number 63646-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O7
InChI InChI=1S/C20H24N2O7/c1-13-6-7-18(19(9-13)28-3)14(2)5-4-8-29-20(23)15-10-16(21(24)25)12-17(11-15)22(26)27/h6,10-12,14H,4-5,7-9H2,1-3H3
InChIKey GXFJVMMSARGTRB-UHFFFAOYSA-N
Molecular Weight 404.419 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(=O)OCCCC(C1=C(CC(=CC1)C)OC)C
SPLASH splash10-00di-1900000000-d3d3965136a91c2e53d5
Source of Spectrum H-60-971-0
Wiley ID 1371163