| SpectraBase Spectrum ID |
Jvimzqiu5E3 |
| Name |
Benzoyl isocyanate |
| Alternate Name(s) |
isocyanato(phenyl)methanone |
| CAS Registry Number |
4461-33-0 |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C8H5NO2 - which differs from the formula reported for the mass spectrum (C14H14N2O) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14N2O |
| InChI |
InChI=1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H |
| InChIKey |
LURYMYITPCOQAU-UHFFFAOYSA-N |
| Molecular Weight |
147.133 g/mol |
| SMILES |
C(N=C=O)(=O)c1ccccc1 |
| SPLASH |
splash10-004i-0090000000-26246c70277bcdbc7083 |
| Source of Spectrum |
J-58-417-2 |
| Wiley ID |
1227816 |
