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NGSSQSQMKVXSCV-TVYUQYBPSA-N
SpectraBase Compound ID 81TMea72j9u
InChI InChI=1S/C17H14O3/c1-9-14-15(12-7-4-8-13(12)20-9)17(19)11-6-3-2-5-10(11)16(14)18/h2-6,8-9,12-13H,7H2,1H3/t9-,12-,13+/m0/s1
InChIKey NGSSQSQMKVXSCV-TVYUQYBPSA-N
Mol Weight 266.3 g/mol
Molecular Formula C17H14O3
Exact Mass 266.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZBkiRqbTZW
Name (3aR,5R,11bS)-3a,5,11b-Trihydro-5-methyl-1H-cyclopenta[b]naphtho[2,3-d]pyran-6,11-dione
Appearance Yellow oil
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Exact Mass 266.094294308 u
Formula C17H14O3
InChI InChI=1S/C17H14O3/c1-9-14-15(12-7-4-8-13(12)20-9)17(19)11-6-3-2-5-10(11)16(14)18/h2-6,8-9,12-13H,7H2,1H3/t9-,12-,13+/m0/s1
InChIKey NGSSQSQMKVXSCV-TVYUQYBPSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0001.608
Molecular Weight 266.296 g/mol
Optical Rotation [a]D20 = +99.0 o (c = 0.4, CH2Cl2)
Quality 144
Reported Formula C17H14O3
SMILES C1=CC2=C(C=C1)C(C1=C(C2=O)[C@@](O[C@]2([C@@]1(CC=C2)[H])[H])(C)[H])=O
SPLASH splash10-0gb9-0390000000-b4c71aecb723b740c049
Source of Spectrum ARK-2000-915-8 (DOI: 10.3998/ark.5550190.0001.608)
Wiley ID 1908617