| SpectraBase Spectrum ID |
K55iDtdyNOU |
| Name |
3,5,6-Trimethyl-2-chloromethyl-4-cyanobenzenonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11ClN2 |
| InChI |
InChI=1S/C12H11ClN2/c1-7-8(2)12(6-15)10(4-13)9(3)11(7)5-14/h4H2,1-3H3 |
| InChIKey |
KEEQDAJJDDADMN-UHFFFAOYSA-N |
| Molecular Weight |
218.687 g/mol |
| SMILES |
c1(c(c(C)c(c(c1C)CCl)C#N)C)C#N |
| SPLASH |
splash10-001i-0920000000-551c75e6efc64025a635 |
| Source of Spectrum |
O1-32-1455-2 |
| Synonyms |
2-(chloromethyl)-3,5,6-trimethylterephthalonitrile |
| Wiley ID |
819110 |
