SpectraBase Compound ID | JmUMRCfhEjO |
---|---|
InChI | InChI=1S/C9H18OS/c1-7-10-5-8(6-11-7)9(2,3)4/h7-8H,5-6H2,1-4H3 |
InChIKey | XTLNXEVVZVWOQG-UHFFFAOYSA-N |
Mol Weight | 174.3 g/mol |
Molecular Formula | C9H18OS |
Exact Mass | 174.107836 g/mol |
SpectraBase Spectrum ID | HRRcvTfE4MY |
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Name | 2-Methyl-5-T-butyl-1,3-oxathiane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.107836373 u |
Formula | C9H18OS |
InChI | InChI=1S/C9H18OS/c1-7-10-5-8(6-11-7)9(2,3)4/h7-8H,5-6H2,1-4H3 |
InChIKey | XTLNXEVVZVWOQG-UHFFFAOYSA-N |
Molecular Weight | 174.302 g/mol |
SMILES | C1(COC(SC1)C)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977792 |