| SpectraBase Spectrum ID |
LGWKcCc8nwh |
| Name |
1,3,5,7-Cyclooctatetraene-1-butanenitrile |
| Alternate Name(s) |
4-(2,4,6,8-Cyclooctatetraenyl)butanenitrile
4-Cyclooctatetraenylbutyronitrile |
| CAS Registry Number |
57670-87-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13N |
| InChI |
InChI=1S/C12H13N/c13-11-7-6-10-12-8-4-2-1-3-5-9-12/h1-5,8-9H,6-7,10H2/b2-1-,3-1-,4-2-,5-3-,8-4-,9-5-,12-8+,12-9+ |
| InChIKey |
OQMIKKLPDZLBIT-FPNRHLQESA-N |
| Molecular Weight |
171.243 g/mol |
| SMILES |
C(#N)CCC\C1=C\C=C/C=C\C=C/1 |
| SPLASH |
splash10-014i-0900000000-f189bbff675e513742c8 |
| Source of Spectrum |
B-28-2246-0 |
| Wiley ID |
1168096 |
