| SpectraBase Compound ID | BiiNOnnS3ps |
|---|---|
| InChI | InChI=1S/C14H12OS/c1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14/h3-8H,1-2H3 |
| InChIKey | IMHFQDLQGYNVCK-UHFFFAOYSA-N |
| Mol Weight | 228.31 g/mol |
| Molecular Formula | C14H12OS |
| Exact Mass | 228.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H32HEPm2Rw7 |
|---|---|
| Name | 1,4-Dimethylphenoxathin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.060886179 u |
| Formula | C14H12OS |
| InChI | InChI=1S/C14H12OS/c1-9-7-8-10(2)14-13(9)15-11-5-3-4-6-12(11)16-14/h3-8H,1-2H3 |
| InChIKey | IMHFQDLQGYNVCK-UHFFFAOYSA-N |
| Molecular Weight | 228.309 g/mol |
| SMILES | C1=2SC3=C(OC2C=CC=C1)C(=CC=C3C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922488 |