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1-Methoxy-12-isopropyltricyclo[5.3.2.0(2,6)]dodeca-8,11-dien-3,10-dione isomer
SpectraBase Compound ID BVIBJ1vU8xv
InChI InChI=1S/C16H20O3/c1-9(2)12-8-16(19-3)14(18)7-5-10(12)11-4-6-13(17)15(11)16/h5,7-11,15H,4,6H2,1-3H3/t10-,11-,15-,16+/m1/s1
InChIKey NTQFEKAPSHTRSV-WVATUKLVSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhpPoHAVy1C
Name 1-Methoxy-12-isopropyltricyclo[5.3.2.0(2,6)]dodeca-8,11-dien-3,10-dione isomer
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Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-9(2)12-8-16(19-3)14(18)7-5-10(12)11-4-6-13(17)15(11)16/h5,7-11,15H,4,6H2,1-3H3/t10-,11-,15-,16+/m1/s1
InChIKey NTQFEKAPSHTRSV-WVATUKLVSA-N
Molecular Weight 260.333 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@](C(=C2)C(C)C)(C=CC1=O)[H])(CCC3=O)[H])[H])OC
SPLASH splash10-014i-0190000000-d8127d1fcee874149d22
Source of Spectrum AJ-64-2783-13
Synonyms 12-isopropyl-1-methoxytricyclo[5.3.2.0(2,6)]dodeca-8,11-diene-3,10-dione
Wiley ID 1264032