| SpectraBase Spectrum ID |
jdUad9M8gV |
| Name |
Benzeneaceto-nitrile, 4-chloro-alpha,alpha-dimethyl-; hydratroponitrile, p-chloro-alpha-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
179.050177026 u |
| Formula |
C10H10ClN |
| InChI |
InChI=1S/C10H10ClN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3 |
| InChIKey |
GQOLYABRQATDOI-UHFFFAOYSA-N |
| Molecular Weight |
179.650 g/mol |
| SMILES |
C1=C(C=CC(=C1)Cl)C(C#N)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.974329 |
