| SpectraBase Spectrum ID |
KeQT1S8759 |
| Name |
2,6-Dimethylphenylisocyanate |
| CAS Registry Number |
28556-81-2 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
147.068413913 u |
| Formula |
C9H9NO |
| InChI |
InChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3 |
| InChIKey |
YQLRKXVEALTVCZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
147.177 g/mol |
| Nominal Mass |
147 u |
| Quality |
981 |
| Retention Index |
1141 |
| SMILES |
C1(=C(C=CC=C1C)C)N=C=O |
| SPLASH |
splash10-00kb-4900000000-8c98c710d5e725bb8f48 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-isocyanato-1,3-dimethylbenzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001145 |
