| SpectraBase Spectrum ID |
DAbplwMf6xv |
| Name |
1-Benzyl-2,4,5-tricyanobenzene |
| Alternate Name(s) |
5-benzyl-1,2,4-benzenetricarbonitrile
5-(phenylmethyl)benzene-1,2,4-tricarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H9N3 |
| InChI |
InChI=1S/C16H9N3/c17-9-14-8-16(11-19)15(10-18)7-13(14)6-12-4-2-1-3-5-12/h1-5,7-8H,6H2 |
| InChIKey |
ZSPPZFIMMVXZHV-UHFFFAOYSA-N |
| Molecular Weight |
243.269 g/mol |
| SMILES |
c1(c(C#N)cc(c(c1)C#N)C#N)Cc1ccccc1 |
| SPLASH |
splash10-0006-0390000000-485877f3abbf8f43a250 |
| Source of Spectrum |
F-56-7149-4 |
| Wiley ID |
858352 |
