SpectraBase Compound ID | 2CQNibCcpaO |
---|---|
InChI | InChI=1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H |
InChIKey | LURYMYITPCOQAU-UHFFFAOYSA-N |
Mol Weight | 147.13 g/mol |
Molecular Formula | C8H5NO2 |
Exact Mass | 147.032028 g/mol |
SpectraBase Spectrum ID | CMBrxNCNeS0 |
---|---|
Name | Benzoyl isocyanate |
Source of Sample | Sigma-Aldrich Co. LLC. |
Catalog Number | 308188 |
CAS Registry Number | 4461-33-0 |
Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C8H5NO2 |
InChI | InChI=1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H |
InChIKey | LURYMYITPCOQAU-UHFFFAOYSA-N |
Observed nucleus | 13C |
Purity | 90% |
Solvent | CDCl3 |
Source of Spectrum | Sigma-Aldrich Co. LLC. |
Wiley ID | SIAL_13CNMR_006176 |