| SpectraBase Compound ID | KOGA4cnSKi6 |
|---|---|
| InChI | InChI=1S/C12H10S2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| InChIKey | AGFZUWXGHUIPNE-UHFFFAOYSA-N |
| Mol Weight | 218.33 g/mol |
| Molecular Formula | C12H10S2 |
| Exact Mass | 218.022393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LimaywnXSlO |
|---|---|
| Name | 1-Naphthalenecarbodithioic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.022392670 u |
| Formula | C12H10S2 |
| InChI | InChI=1S/C12H10S2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| InChIKey | AGFZUWXGHUIPNE-UHFFFAOYSA-N |
| Molecular Weight | 218.332 g/mol |
| SMILES | C1(C(=S)SC)=C2C(C=CC=C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910967 |