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(3S,6S) and (3R,6R)-3-(3,5-dinitrobenzoyloxy)-1,7-dioxaspiro[5.5]undecane
SpectraBase Compound ID 9IJQmfMUjCk
InChI InChI=1S/C16H18N2O8/c19-15(11-7-12(17(20)21)9-13(8-11)18(22)23)26-14-3-5-16(25-10-14)4-1-2-6-24-16/h7-9,14H,1-6,10H2/t14-,16-/m0/s1
InChIKey OHAPOTCDVNWMNK-HOCLYGCPSA-N
Mol Weight 366.33 g/mol
Molecular Formula C16H18N2O8
Exact Mass 366.106316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrkmQvel2Ne
Name (3S,6S) and (3R,6R)-3-(3,5-dinitrobenzoyloxy)-1,7-dioxaspiro[5.5]undecane
Alternate Name(s) (3S,6S)-1,7-dioxaspiro[5.5]undec-3-yl 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O8
InChI InChI=1S/C16H18N2O8/c19-15(11-7-12(17(20)21)9-13(8-11)18(22)23)26-14-3-5-16(25-10-14)4-1-2-6-24-16/h7-9,14H,1-6,10H2/t14-,16-/m0/s1
InChIKey OHAPOTCDVNWMNK-HOCLYGCPSA-N
Molecular Weight 366.326 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(C(O[C@@]2(CO[C@@]3(CC2)OCCCC3)[H])=O)c1
SPLASH splash10-0002-9100000000-23d161acb155c667c8d6
Source of Spectrum KC-1987-1126-22
Wiley ID 1351707