| SpectraBase Compound ID | I2i9vnEHevO |
|---|---|
| InChI | InChI=1S/C12H19NOS/c1-9(13-2)7-10-5-6-11(14-3)12(8-10)15-4/h5-6,8-9,13H,7H2,1-4H3 |
| InChIKey | AHBJYGXNARLCCI-UHFFFAOYSA-N |
| Mol Weight | 225.35 g/mol |
| Molecular Formula | C12H19NOS |
| Exact Mass | 225.118735 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2zx2YAv0MVY |
|---|---|
| Name | 3-mt-4-ma me |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.118735409 u |
| Formula | C12H19NOS |
| InChI | InChI=1S/C12H19NOS/c1-9(13-2)7-10-5-6-11(14-3)12(8-10)15-4/h5-6,8-9,13H,7H2,1-4H3 |
| InChIKey | AHBJYGXNARLCCI-UHFFFAOYSA-N |
| Molecular Weight | 225.350 g/mol |
| SMILES | C1(=CC(=C(C=C1)OC)SC)CC(NC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891386 |