| SpectraBase Spectrum ID |
BdFVdAHaoUy |
| Name |
(E)-2-Benzylidene-3-hydroxy-3-methylheptanenitrile |
| Appearance |
Colorless oil, White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H19NO |
| InChI |
InChI=1S/C15H19NO/c1-3-4-10-15(2,17)14(12-16)11-13-8-6-5-7-9-13/h5-9,11,17H,3-4,10H2,1-2H3/b14-11+ |
| InChIKey |
KMGAIXQEGLDHIQ-SDNWHVSQSA-N |
| Instrument Name |
Finnigan MAT95Q/Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202012085 |
| Molecular Weight |
229.323 g/mol |
| Reported Formula |
C15H19NO |
| SMILES |
OC(\C(=C\c1ccccc1)C#N)(CCCC)C |
| SPLASH |
splash10-0uxr-0900000000-420a6889ca41c1d45133 |
| Sample Comments |
Z/E = 99:1 |
| Source of Spectrum |
ACI-60-SM19-4aj |
| Wiley ID |
1880397 |
