| SpectraBase Spectrum ID |
B8g9v7iWDGO |
| Name |
2,4-Dimethyl-5-chloromethylbenzonitrile |
| Comments |
Note: The molecular formula of the structure shown is C10H10ClN - which differs from the formula reported for the mass spectrum (C20H20N2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20N2 |
| InChI |
InChI=1S/C10H10ClN/c1-7-3-8(2)10(6-12)4-9(7)5-11/h3-4H,5H2,1-2H3 |
| InChIKey |
IHJLPHOXNLGMTI-UHFFFAOYSA-N |
| Molecular Weight |
179.650 g/mol |
| SMILES |
Cc1c(C#N)cc(c(c1)C)CCl |
| SPLASH |
splash10-0a4r-0960000000-d679a6d2b069b96fa351 |
| Source of Spectrum |
O1-32-1455-2 |
| Wiley ID |
819104 |
