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1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-6-(4-methoxyphenyl)-, (1.alpha.,4.alpha.,4a.alpha.,8a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-6-(4-methoxyphenyl)-, (1.alpha.,4.alpha.,4a.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID lO6xnCPC2D
InChI InChI=1S/C18H16O3/c1-21-13-6-4-10(5-7-13)14-9-15(19)16-11-2-3-12(8-11)17(16)18(14)20/h2-7,9,11-12,16-17H,8H2,1H3/t11-,12+,16+,17+/m0/s1
InChIKey MLDOJNCUQJOYOW-JQHQGBHXSA-N
Mol Weight 280.32 g/mol
Molecular Formula C18H16O3
Exact Mass 280.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPkfegDRrs2
Name 1,4-Methanonaphthalene-5,8-dione, 1,4,4a,8a-tetrahydro-6-(4-methoxyphenyl)-, (1.alpha.,4.alpha.,4a.alpha.,8a.alpha.)-(.+-.)-
CAS Registry Number 118172-00-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O3
InChI InChI=1S/C18H16O3/c1-21-13-6-4-10(5-7-13)14-9-15(19)16-11-2-3-12(8-11)17(16)18(14)20/h2-7,9,11-12,16-17H,8H2,1H3/t11-,12+,16+,17+/m0/s1
InChIKey MLDOJNCUQJOYOW-JQHQGBHXSA-N
Molecular Weight 280.323 g/mol
SMILES C1(C(=CC([C@@]2([C@]1([C@@]1(C=C[C@@]2([H])C1)[H])[H])[H])=O)c1ccc(cc1)OC)=O
SPLASH splash10-001i-0090000000-673c8710b9b5961e3343
Source of Spectrum J-54-191-12
Synonyms (1S,2R,7S,8R)-4-(4-methoxyphenyl)tricyclo[6.2.1.0(2,7)]undeca-4,9-diene-3,6-dione 6-(4'-Methoxyphenyl)-1,4.alpha.,4a.alpha.,5.alpha.,8.beta.,8a.alpha.-hexahydro-1,4-methanonaphthalene-5,8-dione
Wiley ID 1284265