| SpectraBase Spectrum ID |
1SuM2EhTTOb |
| Name |
(+-)-(1.alpha.,2A.alpha.,8B.alpha.)-1,2,2A,8B-tetrahydro-8B-hydroxy-1-(2-pyridyl)cyclobuta[A]naphthalene-3,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.089543280 u |
| Formula |
C17H13NO3 |
| InChI |
InChI=1S/C17H13NO3/c19-15-10-5-1-2-6-11(10)17(21)12(9-13(17)16(15)20)14-7-3-4-8-18-14/h1-8,12-13,21H,9H2/t12-,13-,17+/m0/s1 |
| InChIKey |
NMDDALDFPZBOSL-GDZNZVCISA-N |
| Molecular Weight |
279.295 g/mol |
| SMILES |
[C@]12([C@@](C(=O)C(C3=C2C=CC=C3)=O)([H])C[C@]1(C1=NC=CC=C1)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913381 |
![(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1,2,2a,8b-Tetrahydro-8b-hydroxy-1-(2-pyridyl)cyclobuta[a]naphthalene-3,4-dione](/api/spectrum/1SuM2EhTTOb/structure.png?h=300&w=458 "(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1,2,2a,8b-Tetrahydro-8b-hydroxy-1-(2-pyridyl)cyclobuta[a]naphthalene-3,4-dione")
