| SpectraBase Spectrum ID |
1bAhl7oKqwf |
| Name |
4-Isobutoxyphthalonitrile |
| CAS Registry Number |
96917-81-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12N2O |
| InChI |
InChI=1S/C12H12N2O/c1-9(2)8-15-12-4-3-10(6-13)11(5-12)7-14/h3-5,9H,8H2,1-2H3 |
| InChIKey |
RZVVJPBLPKUZRO-UHFFFAOYSA-N |
| Molecular Weight |
200.241 g/mol |
| SMILES |
C(#N)c1c(C#N)ccc(c1)OCC(C)C |
| SPLASH |
splash10-0udl-0590000000-cfbc1c0b58cc43b5cb96 |
| Source of Spectrum |
J-55-2158-5 |
| Wiley ID |
1197899 |
