| SpectraBase Compound ID | DzZmYPDYMVv |
|---|---|
| InChI | InChI=1S/C9H10S/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2 |
| InChIKey | ZZQUQFZVCJWSER-UHFFFAOYSA-N |
| Mol Weight | 150.24 g/mol |
| Molecular Formula | C9H10S |
| Exact Mass | 150.050321 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | l06Uslp7lu |
|---|---|
| Name | Isothiochroman |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.050321496 u |
| Formula | C9H10S |
| InChI | InChI=1S/C9H10S/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2 |
| InChIKey | ZZQUQFZVCJWSER-UHFFFAOYSA-N |
| Molecular Weight | 150.239 g/mol |
| SMILES | C1SCCC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898973 |