| SpectraBase Compound ID | L4wJ9BOHsXJ |
|---|---|
| InChI | InChI=1S/C8H4N2O3S/c11-8(9-5-14)6-2-1-3-7(4-6)10(12)13/h1-4H |
| InChIKey | BPIGGCBDZBMLCI-UHFFFAOYSA-N |
| Mol Weight | 208.19 g/mol |
| Molecular Formula | C8H4N2O3S |
| Exact Mass | 207.994263 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K6POszUsT9v |
|---|---|
| Name | 3-Nitrobenzoyl isothiocyanate |
| CAS Registry Number | 78225-78-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H4N2O3S |
| InChI | InChI=1S/C8H4N2O3S/c11-8(9-5-14)6-2-1-3-7(4-6)10(12)13/h1-4H |
| InChIKey | BPIGGCBDZBMLCI-UHFFFAOYSA-N |
| Molecular Weight | 208.191 g/mol |
| SMILES | C(=O)(N=C=S)c1cccc(c1)[N+]([O-])=O |
| SPLASH | splash10-0udi-7900000000-e250175b636864ab6861 |
| Source of Spectrum | JX-2015-5-907 |
| Wiley ID | 1727644 |