| SpectraBase Spectrum ID |
3CwTYl3vp7O |
| Name |
(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1,2,2a,8b-Tetrahydro-8b-hydroxy-1-(4-pyridyl)cyclobuta[a]naphthalene-3,4-dione |
| Alternate Name(s) |
(1S,2aR,8bR)-8b-hydroxy-1-(4-pyridinyl)-1,2,2a,8b-tetrahydrocyclobuta[a]naphthalene-3,4-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H13NO3 |
| InChI |
InChI=1S/C17H13NO3/c19-15-11-3-1-2-4-12(11)17(21)13(9-14(17)16(15)20)10-5-7-18-8-6-10/h1-8,13-14,21H,9H2/t13-,14-,17+/m0/s1 |
| InChIKey |
FMMZVUJGJHMLCC-GRDNDAEWSA-N |
| Molecular Weight |
279.295 g/mol |
| SMILES |
O[C@@]12[C@@](C(=O)C(c3c2cccc3)=O)([H])C[C@]1(c1ccncc1)[H] |
| SPLASH |
splash10-0a6r-0970000000-aacd7157179941e0caa6 |
| Source of Spectrum |
KC-0-119-6 |
| Wiley ID |
775831 |
![(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1,2,2a,8b-Tetrahydro-8b-hydroxy-1-(4-pyridyl)cyclobuta[a]naphthalene-3,4-dione](/api/spectrum/3CwTYl3vp7O/structure.png?h=300&w=458 "(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1,2,2a,8b-Tetrahydro-8b-hydroxy-1-(4-pyridyl)cyclobuta[a]naphthalene-3,4-dione")
