| SpectraBase Spectrum ID |
9m85h89t2ED |
| Name |
trans-2-((2-hydroxycyclohexyl)-2-phenylacetonitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.131014170 u |
| Formula |
C14H17NO |
| InChI |
InChI=1S/C14H17NO/c15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)16/h1-3,6-7,12-14,16H,4-5,8-9H2/t12-,13?,14+/m1/s1 |
| InChIKey |
ZWBQLOQDFIOIQP-YIOYIWSBSA-N |
| Instrument Name |
Finnigan MAT95Q or Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202203807 |
| Molecular Weight |
215.296 g/mol |
| Quality |
117 |
| Reported Formula |
C14H17NO |
| SMILES |
O[C@]1(CCCC[C@@]1(C(C#N)C1=CC=CC=C1)[H])[H] |
| SPLASH |
splash10-014i-1900000000-1ebf4b864a0ec9586d6d |
| Sample Comments |
dr = 4.2:1 |
| Source of Spectrum |
ACI-61-SM72-10ao (DOI: 10.1002/anie.202203807) |
| Wiley ID |
1897783 |
