| SpectraBase Compound ID | LYtyFIYjgKS |
|---|---|
| InChI | InChI=1S/C13H9N3S/c17-10-14-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H/b16-15+ |
| InChIKey | ZTXNMMXJFVCQPD-FOCLMDBBSA-N |
| Mol Weight | 239.3 g/mol |
| Molecular Formula | C13H9N3S |
| Exact Mass | 239.051718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A9x6yZwABuw |
|---|---|
| Name | Isothiocyanic acid, (p-phenylazo)phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.051718476 u |
| Formula | C13H9N3S |
| InChI | InChI=1S/C13H9N3S/c17-10-14-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H/b16-15+ |
| InChIKey | ZTXNMMXJFVCQPD-FOCLMDBBSA-N |
| Molecular Weight | 239.296 g/mol |
| SMILES | C1(N=C=S)=CC=C(C=C1)\N=N\C1=CC=CC=C1 |