| SpectraBase Compound ID | 3M6BPHpnybF |
|---|---|
| InChI | InChI=1S/C9H19NS/c1-3-5-6-7-8-10-9(11)4-2/h3-8H2,1-2H3,(H,10,11) |
| InChIKey | XVXMYSGMHYFXJD-UHFFFAOYSA-N |
| Mol Weight | 173.32 g/mol |
| Molecular Formula | C9H19NS |
| Exact Mass | 173.123821 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Xu83nE9jOb |
|---|---|
| Name | N-Hexyl-thiopropionamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.123820790 u |
| Formula | C9H19NS |
| InChI | InChI=1S/C9H19NS/c1-3-5-6-7-8-10-9(11)4-2/h3-8H2,1-2H3,(H,10,11) |
| InChIKey | XVXMYSGMHYFXJD-UHFFFAOYSA-N |
| Molecular Weight | 173.318 g/mol |
| SMILES | C(NCCCCCC)(CC)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928671 |