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Bicyclo[3.2.1]oct-6-yl 2,4-dinitrobenzoate
SpectraBase Compound ID DHJnRV5bLnr
InChI InChI=1S/C15H16N2O6/c18-15(23-14-7-9-2-1-3-10(14)6-9)12-5-4-11(16(19)20)8-13(12)17(21)22/h4-5,8-10,14H,1-3,6-7H2/t9-,10+,14-/m0/s1
InChIKey HVKPNFOCUSLLNO-RBZYPMLTSA-N
Mol Weight 320.3 g/mol
Molecular Formula C15H16N2O6
Exact Mass 320.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6YJqPWPBZp
Name Bicyclo[3.2.1]oct-6-yl 2,4-dinitrobenzoate
CAS Registry Number 274255-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O6
InChI InChI=1S/C15H16N2O6/c18-15(23-14-7-9-2-1-3-10(14)6-9)12-5-4-11(16(19)20)8-13(12)17(21)22/h4-5,8-10,14H,1-3,6-7H2/t9-,10+,14-/m0/s1
InChIKey HVKPNFOCUSLLNO-RBZYPMLTSA-N
Molecular Weight 320.301 g/mol
SMILES c1(c(N(=O)=O)cc(N(=O)=O)cc1)C(O[C@@]1([C@]2(C[C@@](C1)(CCC2)[H])[H])[H])=O
SPLASH splash10-069r-9200000000-6684c462db12326bc13e
Source of Spectrum AD-0-2532-0
Synonyms 2,4-Dinitrobenzoic acid 6-bicyclo[3.2.1]octanyl ester 6-bicyclo[3.2.1]octanyl 2,4-dinitrobenzoate Benzoic acid, 2,4-dinitro-, bicyclo[3.2.1]oct-6-yl ester
Wiley ID 1419729