| SpectraBase Spectrum ID |
2mQk5emxGzB |
| Name |
2-(Chloroethynyl)benzonitrile |
| Alternate Name(s) |
2-(2-Chloranylethynyl)benzenecarbonitrile |
| CAS Registry Number |
87954-05-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H4ClN |
| InChI |
InChI=1S/C9H4ClN/c10-6-5-8-3-1-2-4-9(8)7-11/h1-4H |
| InChIKey |
GITZMVGOSJSMLD-UHFFFAOYSA-N |
| Molecular Weight |
161.591 g/mol |
| SMILES |
C(#CCl)c1c(C#N)cccc1 |
| SPLASH |
splash10-03di-0900000000-31dd488387fa50c6cf95 |
| Source of Spectrum |
J-49-294-0 |
| Wiley ID |
1157642 |
