![3-Formyl-3-methyl-2-thiabicyclo[2.2.1]hept-5-ene](/api/spectrum/7aFLlo6P51u/structure.png?h=300&w=458 "3-Formyl-3-methyl-2-thiabicyclo[2.2.1]hept-5-ene")
| SpectraBase Compound ID | K1MFd3SFdMs |
|---|---|
| InChI | InChI=1S/C8H10OS/c1-8(5-9)6-2-3-7(4-6)10-8/h2-3,5-7H,4H2,1H3 |
| InChIKey | KJLMOTMTELSADK-UHFFFAOYSA-N |
| Mol Weight | 154.23 g/mol |
| Molecular Formula | C8H10OS |
| Exact Mass | 154.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7aFLlo6P51u |
|---|---|
| Name | 3-Formyl-3-methyl-2-thiabicyclo[2.2.1]hept-5-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.045236115 u |
| Formula | C8H10OS |
| InChI | InChI=1S/C8H10OS/c1-8(5-9)6-2-3-7(4-6)10-8/h2-3,5-7H,4H2,1H3 |
| InChIKey | KJLMOTMTELSADK-UHFFFAOYSA-N |
| Molecular Weight | 154.227 g/mol |
| SMILES | C1(SC2CC1C=C2)(C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885849 |