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(+,-)-(3.alpha.,3a.beta.,7.beta.,7a.alpha.)-3a,4,7,7a-tetrahydro-3-(2-phenylethenyl)-7-methyl-2(3H)-benzofuranone
SpectraBase Compound ID 5VerLKzHKiT
InChI InChI=1S/C17H18O2/c1-12-6-5-9-14-15(17(18)19-16(12)14)11-10-13-7-3-2-4-8-13/h2-8,10-12,14-16H,9H2,1H3/b11-10+/t12-,14+,15-,16-/m0/s1
InChIKey WLELJMFHLBYGQW-XTGQUDATSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H42XXG4W2Ej
Name (+,-)-(3.alpha.,3a.beta.,7.beta.,7a.alpha.)-3a,4,7,7a-tetrahydro-3-(2-phenylethenyl)-7-methyl-2(3H)-benzofuranone
Alternate Name(s) (3S,3aR,7S,7aS)-7-methyl-3-[(E)-2-phenylethenyl]-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one
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Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-12-6-5-9-14-15(17(18)19-16(12)14)11-10-13-7-3-2-4-8-13/h2-8,10-12,14-16H,9H2,1H3/b11-10+/t12-,14+,15-,16-/m0/s1
InChIKey WLELJMFHLBYGQW-XTGQUDATSA-N
Molecular Weight 254.329 g/mol
SMILES C1(O[C@@]2([C@@]([C@@]1(\C=C\c1ccccc1)[H])(CC=C[C@@]2(C)[H])[H])[H])=O
SPLASH splash10-067l-3920000000-db9ebc786c0ba4e0eb93
Source of Spectrum J-54-692-15
Wiley ID 1258252