| SpectraBase Compound ID | 6Abr3ea6WdC |
|---|---|
| InChI | InChI=1S/C17H25NO3S/c1-6-17(19)18-8-7-13-9-15(21-5)16(10-14(13)20-4)22-11-12(2)3/h9-10H,2,6-8,11H2,1,3-5H3,(H,18,19) |
| InChIKey | QFZNWQGVDNKFPP-UHFFFAOYSA-N |
| Mol Weight | 323.45 g/mol |
| Molecular Formula | C17H25NO3S |
| Exact Mass | 323.155515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JDYYhHM4e7J |
|---|---|
| Name | 2C-T-3 Prop |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.155514840 u |
| Formula | C17H25NO3S |
| InChI | InChI=1S/C17H25NO3S/c1-6-17(19)18-8-7-13-9-15(21-5)16(10-14(13)20-4)22-11-12(2)3/h9-10H,2,6-8,11H2,1,3-5H3,(H,18,19) |
| InChIKey | QFZNWQGVDNKFPP-UHFFFAOYSA-N |
| Molecular Weight | 323.451 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)SCC(=C)C)OC)CCNC(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94774 |