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(1S,5S,6R)-6-(3,5-Dinitrobenzoyl)oxy-6-prop-2-en-2-ylbicyclo[3.2.0]heptane

View entire compound with spectra: 1 MS (GC)

(1S,5S,6R)-6-(3,5-Dinitrobenzoyl)oxy-6-prop-2-en-2-ylbicyclo[3.2.0]heptane
SpectraBase Compound ID HCjPKR8I5uK
InChI InChI=1S/C17H18N2O6/c1-10(2)17(9-11-4-3-5-15(11)17)25-16(20)12-6-13(18(21)22)8-14(7-12)19(23)24/h6-8,11,15H,1,3-5,9H2,2H3/t11-,15-,17-/m0/s1
InChIKey CEPHIMAADYSTLR-KCTSRDHCSA-N
Mol Weight 346.34 g/mol
Molecular Formula C17H18N2O6
Exact Mass 346.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53NaHbPfG3s
Name (1S,5S,6R)-6-(3,5-Dinitrobenzoyl)oxy-6-prop-2-en-2-ylbicyclo[3.2.0]heptane
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Formula C17H18N2O6
InChI InChI=1S/C17H18N2O6/c1-10(2)17(9-11-4-3-5-15(11)17)25-16(20)12-6-13(18(21)22)8-14(7-12)19(23)24/h6-8,11,15H,1,3-5,9H2,2H3/t11-,15-,17-/m0/s1
InChIKey CEPHIMAADYSTLR-KCTSRDHCSA-N
Molecular Weight 346.339 g/mol
SMILES [C@]1(OC(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)(C[C@]2([C@@]1(CCC2)[H])[H])C(=C)C
SPLASH splash10-014i-9700000000-0397348756d18ba39008
Source of Spectrum SO-0-430-15
Synonyms (1S,5S,6R)-6-isopropenylbicyclo[3.2.0]hept-6-yl 3,5-dinitrobenzoate 6-(3,5-Dinitrobenzoyl)oxy-6-prop-2-en-2-ylbicyclo[3.2.0]heptane
Wiley ID 1540588