| SpectraBase Compound ID | BNMfJPdRZX5 |
|---|---|
| InChI | 1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H |
| InChIKey | OMWQUXGVXQELIX-UHFFFAOYSA-N |
| Mol Weight | 192.25 g/mol |
| Molecular Formula | C8H4N2S2 |
| Exact Mass | 191.98159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KAK0zkNCtv2 |
|---|---|
| Name | Isothiocyanic acid, p-phenylene ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.981590485 u |
| Formula | C8H4N2S2 |
| InChI | InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H |
| InChIKey | OMWQUXGVXQELIX-UHFFFAOYSA-N |
| Molecular Weight | 192.254 g/mol |
| SMILES | C1(N=C=S)=CC=C(C=C1)N=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883981 |