| SpectraBase Compound ID | 8nTNhNQsUt6 |
|---|---|
| InChI | InChI=1S/C14H11NO2S2/c16-15(17)13-8-6-12(7-9-13)14(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | UTWYMFPTRLNCJX-UHFFFAOYSA-N |
| Mol Weight | 289.37 g/mol |
| Molecular Formula | C14H11NO2S2 |
| Exact Mass | 289.023121 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1g6x77SfFER |
|---|---|
| Name | (Phenylmethyl) 4-nitrobenzenecarbodithioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.023120944 u |
| Formula | C14H11NO2S2 |
| InChI | InChI=1S/C14H11NO2S2/c16-15(17)13-8-6-12(7-9-13)14(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2 |
| InChIKey | UTWYMFPTRLNCJX-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C(SCC=2C=CC=CC2)=S)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851703 |