| SpectraBase Spectrum ID |
9yj5a3ZjxUR |
| Name |
(E)-2-(2-Hydroxyadamantan-2-yl)-3-phenylacrylonitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H21NO |
| InChI |
InChI=1S/C19H21NO/c20-12-18(7-13-4-2-1-3-5-13)19(21)16-8-14-6-15(10-16)11-17(19)9-14/h1-5,7,14-17,21H,6,8-11H2/b18-7+/t14-,15+,16-,17+,19- |
| InChIKey |
TXHCITDPZIZCPJ-MQPVQOHHSA-N |
| Instrument Name |
Finnigan MAT95Q/Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202012085 |
| Molecular Weight |
279.383 g/mol |
| Reported Formula |
C19H21NO |
| SMILES |
OC1([C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])\C(C#N)=C\c1ccccc1 |
| SPLASH |
splash10-0ffx-5910000000-0ec7ff34f8ac151c87a5 |
| Sample Comments |
E/Z = 99:1 |
| Source of Spectrum |
ACI-60-SM40-4ao |
| Wiley ID |
1880398 |
