| 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.)-(.+-.)- |
| Alternate Name(s) |
(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 |
| CAS Registry Number |
118172-00-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 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 |
| Wiley ID |
1284265 |
