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(3S,3aR,4R,7aS)-4-Hydroxy-6-methyl-3-(4-methyl-pent-3-enyl)-3a,4,7,7a-tetrahydro-3H-benzofuran-2-one
SpectraBase Compound ID 5BToS6MjDHs
InChI InChI=1S/C15H22O3/c1-9(2)5-4-6-11-14-12(16)7-10(3)8-13(14)18-15(11)17/h5,7,11-14,16H,4,6,8H2,1-3H3/t11-,12+,13-,14+/m0/s1
InChIKey BXQSTJZJKHLJPC-RFQIPJPRSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cUZo8ynpqJ
Name (3S,3aR,4R,7aS)-4-Hydroxy-6-methyl-3-(4-methyl-pent-3-enyl)-3a,4,7,7a-tetrahydro-3H-benzofuran-2-one
Alternate Name(s) (3S,3aR,4R,7aS)-4-hydroxy-6-methyl-3-(4-methyl-3-pentenyl)-3a,4,7,7a-tetrahydro-1-benzofuran-2(3H)-one (3S,3aS,4S,7aS)-4-Hydroxy-6-methyl-3-(4-methyl-3-pentenyl)-3a,4,7,7a-tetrahydrobenzo[b]furan-4(3H)-one (3S,3aR,4R,7aS)-4-hydroxy-6-methyl-3-(4-methylpent-3-enyl)-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one (3S,3aR,4R,7aS)-6-methyl-3-(4-methylpent-3-enyl)-4-oxidanyl-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-9(2)5-4-6-11-14-12(16)7-10(3)8-13(14)18-15(11)17/h5,7,11-14,16H,4,6,8H2,1-3H3/t11-,12+,13-,14+/m0/s1
InChIKey BXQSTJZJKHLJPC-RFQIPJPRSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@]1([C@]2([C@@](C(O[C@]2(CC(C)=C1)[H])=O)(CCC=C(C)C)[H])[H])[H]
SPLASH splash10-001i-0790000000-3fbc8c954afc914fd461
Source of Spectrum F-55-3868-35
Wiley ID 837311