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5H-Dibenzo[a,d]cycloheptene-10,11-dicarboxylic acid, 10,11-dihydro-3,7-dinitro-5-oxo-, dimethyl ester, (10R-trans)-
SpectraBase Compound ID uDH4DC1oqD
InChI InChI=1S/C19H14N2O9/c1-29-18(23)15-11-5-3-9(20(25)26)7-13(11)17(22)14-8-10(21(27)28)4-6-12(14)16(15)19(24)30-2/h3-8,15-16H,1-2H3/t15-,16-/m0/s1
InChIKey CNRJYXXCIDMROE-HOTGVXAUSA-N
Mol Weight 414.33 g/mol
Molecular Formula C19H14N2O9
Exact Mass 414.06993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lg8naFhS8O2
Name 5H-Dibenzo[a,d]cycloheptene-10,11-dicarboxylic acid, 10,11-dihydro-3,7-dinitro-5-oxo-, dimethyl ester, (10R-trans)-
Alternate Name(s) Dimethyl (10R,11R)-3,7-dinitro-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-10,11-dicarboxylate Dimethyl 3,7-dinitro-10,110dihydro-5H-dibenzo[a,d]cycloheptene-5-one-10,11-dicarboxylate
CAS Registry Number 115474-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14N2O9
InChI InChI=1S/C19H14N2O9/c1-29-18(23)15-11-5-3-9(20(25)26)7-13(11)17(22)14-8-10(21(27)28)4-6-12(14)16(15)19(24)30-2/h3-8,15-16H,1-2H3/t15-,16-/m0/s1
InChIKey CNRJYXXCIDMROE-HOTGVXAUSA-N
Molecular Weight 414.326 g/mol
SMILES c12c([C@@]([C@@](C(=O)OC)(c3c(C2=O)cc(N(=O)=O)cc3)[H])(C(=O)OC)[H])ccc(N(=O)=O)c1
SPLASH splash10-0a4i-5009100000-37ca4fb5d634e752a0ff
Source of Spectrum F-43-4960-35
Wiley ID 1375222