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(E)-5-(ethylthio)-2-isopropyl-5-methyl-hex-3-en-1-ol

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(E)-5-(ethylthio)-2-isopropyl-5-methyl-hex-3-en-1-ol
SpectraBase Compound ID 33ITXrZ3llj
InChI InChI=1S/C12H24OS/c1-6-14-12(4,5)8-7-11(9-13)10(2)3/h7-8,10-11,13H,6,9H2,1-5H3/b8-7+
InChIKey FGEHHQGSSBZSRZ-BQYQJAHWSA-N
Mol Weight 216.38 g/mol
Molecular Formula C12H24OS
Exact Mass 216.154787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7RdF0JIisdt
Name (E)-5-(Ethylthio)-2-isopropyl-5-methyl-hex-3-en-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.154786566 u
Formula C12H24OS
InChI InChI=1S/C12H24OS/c1-6-14-12(4,5)8-7-11(9-13)10(2)3/h7-8,10-11,13H,6,9H2,1-5H3/b8-7+
InChIKey FGEHHQGSSBZSRZ-BQYQJAHWSA-N
Molecular Weight 216.383 g/mol
SMILES C(\C=C\C(C(C)C)CO)(SCC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95015