| SpectraBase Compound ID | 6glHQv1cNrj |
|---|---|
| InChI | InChI=1S/C11H10S/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| InChIKey | DKICYCNWKRHPFR-UHFFFAOYSA-N |
| Mol Weight | 174.26 g/mol |
| Molecular Formula | C11H10S |
| Exact Mass | 174.050321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AhS3gRhVnnq |
|---|---|
| Name | 1-(Methylthio)naphthalene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.050321496 u |
| Formula | C11H10S |
| InChI | InChI=1S/C11H10S/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3 |
| InChIKey | DKICYCNWKRHPFR-UHFFFAOYSA-N |
| Molecular Weight | 174.261 g/mol |
| SMILES | C=1C=2C=CC=CC2C(=CC1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916786 |