| SpectraBase Compound ID | JoS88aDF6Fw |
|---|---|
| InChI | InChI=1S/C18H38S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-3/h18H,4-17H2,1-3H3 |
| InChIKey | NNPWEJXWHQICIP-UHFFFAOYSA-N |
| Mol Weight | 286.6 g/mol |
| Molecular Formula | C18H38S |
| Exact Mass | 286.269422 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BaGL0t1o4Ux |
|---|---|
| Name | 2-Methylthioheptadecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.269422398 u |
| Formula | C18H38S |
| InChI | InChI=1S/C18H38S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-3/h18H,4-17H2,1-3H3 |
| InChIKey | NNPWEJXWHQICIP-UHFFFAOYSA-N |
| Molecular Weight | 286.562 g/mol |
| SMILES | C(CCCCCCCCCCCCC)CC(SC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900557 |