| SpectraBase Spectrum ID |
1ugVbZheMK |
| Name |
(3S,3aR,7aS)-4-((Hexahydro-4H-furo[2,3-b]pyran-3-yl)methyl)benzonitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17NO2 |
| InChI |
InChI=1S/C15H17NO2/c16-9-12-5-3-11(4-6-12)8-13-10-18-15-14(13)2-1-7-17-15/h3-6,13-15H,1-2,7-8,10H2/t13-,14-,15+/m1/s1 |
| InChIKey |
GNQWGXBDAKSADZ-KFWWJZLASA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/adsc.202200907 |
| Molecular Weight |
243.306 g/mol |
| Reported Formula |
C15H17NO2 |
| SMILES |
c1(C[C@@]2(CO[C@@]3(OCCC[C@]23[H])[H])[H])ccc(cc1)C#N |
| SPLASH |
splash10-00kf-1920000000-c122d41dbc082c23e09a |
| Sample Comments |
dr = 95:5 |
| Source of Spectrum |
ASC-364-SM12-3g |
| Wiley ID |
1877481 |
![(3S,3aR,7aS)-4-((Hexahydro-4H-furo[2,3-b]pyran-3-yl)methyl)benzonitrile](/api/spectrum/1ugVbZheMK/structure.png?h=300&w=458 "(3S,3aR,7aS)-4-((Hexahydro-4H-furo[2,3-b]pyran-3-yl)methyl)benzonitrile")
