| SpectraBase Spectrum ID |
8OVKkRBofhq |
| Name |
2-[(4R,5R)-2,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]-1,3-dioxan-5-yl]acetonitrile |
| Alternate Name(s) |
2-[(4R,5R)-2,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]-1,3-dioxan-5-yl]ethanenitrile
2-[(4R,5R)-4-[(E)-cinnamyl]-2,2-dimethyl-1,3-dioxan-5-yl]acetonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO2 |
| InChI |
InChI=1S/C17H21NO2/c1-17(2)19-13-15(11-12-18)16(20-17)10-6-9-14-7-4-3-5-8-14/h3-9,15-16H,10-11,13H2,1-2H3/b9-6+/t15-,16-/m1/s1 |
| InChIKey |
JHOCOAJXJLBAAR-HKFHSAMXSA-N |
| Molecular Weight |
271.360 g/mol |
| SMILES |
C1(O[C@@]([C@@](CO1)(CC#N)[H])(C\C=C\c1ccccc1)[H])(C)C |
| SPLASH |
splash10-0udi-0910000000-b8ea21301c2d0103313a |
| Source of Spectrum |
J-65-5438-11 |
| Wiley ID |
1533040 |
![2-[(4R,5R)-2,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]-1,3-dioxan-5-yl]acetonitrile](/api/spectrum/8OVKkRBofhq/structure.png?h=300&w=458 "2-[(4R,5R)-2,2-dimethyl-4-[(E)-3-phenylprop-2-enyl]-1,3-dioxan-5-yl]acetonitrile")
