| SpectraBase Spectrum ID |
5gjG4dJcFDV |
| Name |
2-((4-Chlorophenyl)(cyclopropyl)(hydroxy)methyl)-3-methylhept-2-enenitrile |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22ClNO |
| InChI |
InChI=1S/C18H22ClNO/c1-3-4-5-13(2)17(12-20)18(21,14-6-7-14)15-8-10-16(19)11-9-15/h8-11,14,21H,3-7H2,1-2H3 |
| InChIKey |
CPPNTOBJODYRBI-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT95Q/Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202012085 |
| Molecular Weight |
303.833 g/mol |
| Reported Formula |
C18H21ClNO |
| SMILES |
OC(C(C#N)=C(CCCC)C)(c1ccc(cc1)Cl)C1CC1 |
| SPLASH |
splash10-0f9i-0940000000-7056397dd1c8b9736e54 |
| Sample Comments |
Z/E = 55:45 |
| Source of Spectrum |
ACI-60-SM35-10br |
| Wiley ID |
1880383 |
