| SpectraBase Spectrum ID |
IxYH1BnVpKD |
| Name |
(4R*,4aR*,8aR*)-2-Phenyl-4-( 4'-nitrophenyl)-1,4,4a,5,6,7,8,8a-octahydro-1,8-dioxanaphtho-3-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18N2O4 |
| InChI |
InChI=1S/C21H18N2O4/c22-13-18-19(14-8-10-16(11-9-14)23(24)25)17-7-4-12-26-21(17)27-20(18)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,19,21H,4,7,12H2/t17-,19+,21-/m1/s1 |
| InChIKey |
LITLDAZBFVNTJS-SLYNCCJLSA-N |
| Molecular Weight |
362.385 g/mol |
| SMILES |
C1(=C(O[C@@]2([C@@]([C@@]1(c1ccc(N(=O)=O)cc1)[H])(CCCO2)[H])[H])c1ccccc1)C#N |
| SPLASH |
splash10-001i-9003000000-943aedb716e4c13476cc |
| Source of Spectrum |
AH-128-1170-7 |
| Synonyms |
(4aR,5R,8aR)-5-(4-nitrophenyl)-7-phenyl-3,4,4a,8a-tetrahydro-2H,5H-pyrano[2,3-b]pyran-6-carbonitrile |
| Wiley ID |
1349685 |
