SpectraBase Compound ID | DLvaX1xFsZq |
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InChI | InChI=1S/C15H32S/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16-3/h15H,4-14H2,1-3H3 |
InChIKey | CKZBOCPIPDOAAB-UHFFFAOYSA-N |
Mol Weight | 244.5 g/mol |
Molecular Formula | C15H32S |
Exact Mass | 244.222472 g/mol |
SpectraBase Spectrum ID | Bd1jP94ayGk |
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Name | 2-Methylthiotetradecane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 244.222472204 u |
Formula | C15H32S |
InChI | InChI=1S/C15H32S/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16-3/h15H,4-14H2,1-3H3 |
InChIKey | CKZBOCPIPDOAAB-UHFFFAOYSA-N |
Molecular Weight | 244.481 g/mol |
SMILES | C(CCCCCCCCCCC)C(C)SC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944999 |