| SpectraBase Spectrum ID |
Dn9U8SHWDgG |
| Name |
1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)-benzene |
| CAS Registry Number |
2094-99-7 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
201.115364106 u |
| Formula |
C13H15NO |
| InChI |
InChI=1S/C13H15NO/c1-10(2)11-7-5-6-8-12(11)13(3,4)14-9-15/h5-8H,1H2,2-4H3 |
| InChIKey |
RSJWKIDVVZWYTD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
201.269 g/mol |
| Nominal Mass |
201 u |
| Quality |
969 |
| Retention Index |
1530 |
| SMILES |
C(C=1C(C(=C)C)=CC=CC1)(N=C=O)(C)C |
| SPLASH |
splash10-000i-3910000000-6202f9d4e8ed751a44c1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(2-Isocyanatopropan-2-yl)-2-(prop-1-en-2-yl)benzene |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027658 |
