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2-Methyl-5-T-butyl-1,3-oxathiane
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HRRcvTfE4MY
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