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8-Methyl-3-{(E)-1-[(4'-methyl-5'-oxo-2',5'-dihydrofuran-2'-yl)oxy]methylidene}-3,3a,4,8b-trteahydro-2H-indeno[1,2-b]furan-2-one isomer
SpectraBase Compound ID JvxuvlDDhkw
InChI InChI=1S/C18H16O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h3-6,8,12,14,16H,7H2,1-2H3/b13-8+/t12?,14-,16-/m0/s1
InChIKey VOUHWBKUBOAUAP-DOQOGYQPSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcazI34VmLA
Name 8-Methyl-3-{(E)-1-[(4'-methyl-5'-oxo-2',5'-dihydrofuran-2'-yl)oxy]methylidene}-3,3a,4,8b-trteahydro-2H-indeno[1,2-b]furan-2-one isomer
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Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-9-4-3-5-11-7-12-13(18(20)23-16(12)15(9)11)8-21-14-6-10(2)17(19)22-14/h3-6,8,12,14,16H,7H2,1-2H3/b13-8+/t12?,14-,16-/m0/s1
InChIKey VOUHWBKUBOAUAP-DOQOGYQPSA-N
Molecular Weight 312.321 g/mol
SMILES C12\C(C(O[C@@]2(c2c(cccc2C1)C)[H])=O)=C/O[C@]1(OC(=O)C(=C1)C)[H]
SPLASH splash10-00kb-9040000000-d1736b527853b88eb5f2
Source of Spectrum KC-0-2620-4
Wiley ID 828963