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Bicyclo[3.2.1]octane-1-carboxylic acid, 2,4,5-trimethyl-3-nitro-8-oxo-, ethyl ester, (2-endo,3-exo,4-exo)-(.+-.)-
SpectraBase Compound ID CkGnlSsVBP8
InChI InChI=1S/C14H21NO5/c1-5-20-12(17)14-7-6-13(4,11(14)16)8(2)10(9(14)3)15(18)19/h8-10H,5-7H2,1-4H3/t8-,9?,10?,13+,14+/m0/s1
InChIKey IYXUVARKKZXTOB-KAOKRCNFSA-N
Mol Weight 283.32 g/mol
Molecular Formula C14H21NO5
Exact Mass 283.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UuCb2FETuA
Name Bicyclo[3.2.1]octane-1-carboxylic acid, 2,4,5-trimethyl-3-nitro-8-oxo-, ethyl ester, (2-endo,3-exo,4-exo)-(.+-.)-
Alternate Name(s) Ethyl 2,4,5-trimethyl-3-nitro-8-oxobicyclo[3.2.1]octane-1-carboxylate Ethyl rac-2,4,5-trimethyl-3-nitro-8-oxobicyclo[3.2.1]octane-carboxylate
CAS Registry Number 129967-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO5
InChI InChI=1S/C14H21NO5/c1-5-20-12(17)14-7-6-13(4,11(14)16)8(2)10(9(14)3)15(18)19/h8-10H,5-7H2,1-4H3/t8-,9?,10?,13+,14+/m0/s1
InChIKey IYXUVARKKZXTOB-KAOKRCNFSA-N
Molecular Weight 283.324 g/mol
SMILES [C@]12(C([C@](C)(CC2)[C@](C(N(=O)=O)C1C)(C)[H])=O)C(=O)OCC
SPLASH splash10-0a4r-2900000000-09d983ac6ea81b37db5e
Source of Spectrum C-112-7635-10
Wiley ID 1286842