| SpectraBase Compound ID | Bo1XZomaja1 |
|---|---|
| InChI | InChI=1S/C9H19NS/c1-2-3-5-10-6-4-8-11-9-7-10/h2-9H2,1H3 |
| InChIKey | IPXNSBQQQUAXOE-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 | 2tb7jkefp3X |
|---|---|
| Name | 1,4-Thiazepine, 4-butylhexahydro- |
| 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/c1-2-3-5-10-6-4-8-11-9-7-10/h2-9H2,1H3 |
| InChIKey | IPXNSBQQQUAXOE-UHFFFAOYSA-N |
| Molecular Weight | 173.318 g/mol |
| SMILES | C1N(CCSCC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966953 |