| SpectraBase Compound ID | HcbNM3oYgTW |
|---|---|
| InChI | InChI=1S/C17H29NOS/c1-5-7-8-10-18-11-9-15-13-17(20-4)14(6-2)12-16(15)19-3/h12-13,18H,5-11H2,1-4H3 |
| InChIKey | MGOHDTKDTUSZTL-UHFFFAOYSA-N |
| Mol Weight | 295.49 g/mol |
| Molecular Formula | C17H29NOS |
| Exact Mass | 295.196986 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BjZIuahidOP |
|---|---|
| Name | 2C-5-Toet pe |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.196985731 u |
| Formula | C17H29NOS |
| InChI | InChI=1S/C17H29NOS/c1-5-7-8-10-18-11-9-15-13-17(20-4)14(6-2)12-16(15)19-3/h12-13,18H,5-11H2,1-4H3 |
| InChIKey | MGOHDTKDTUSZTL-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)SC)CC)OC)CCNCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969109 |