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1-(1,3-Dithian-2-ylidene)-3-ethyl-2-(2-methoxyphenyl)pentan-3-ol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(1,3-Dithian-2-ylidene)-3-ethyl-2-(2-methoxyphenyl)pentan-3-ol
SpectraBase Compound ID JmbvPUpReP1
InChI InChI=1S/C18H26O2S2/c1-4-18(19,5-2)15(13-17-21-11-8-12-22-17)14-9-6-7-10-16(14)20-3/h6-7,9-10,13,15,19H,4-5,8,11-12H2,1-3H3
InChIKey VERXDQMLUYFRGQ-UHFFFAOYSA-N
Mol Weight 338.52 g/mol
Molecular Formula C18H26O2S2
Exact Mass 338.137422 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 11PR864rbkt
Name 1-(1,3-Dithian-2-ylidene)-3-ethyl-2-(2-methoxyphenyl)pentan-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.137422423 u
Formula C18H26O2S2
InChI InChI=1S/C18H26O2S2/c1-4-18(19,5-2)15(13-17-21-11-8-12-22-17)14-9-6-7-10-16(14)20-3/h6-7,9-10,13,15,19H,4-5,8,11-12H2,1-3H3
InChIKey VERXDQMLUYFRGQ-UHFFFAOYSA-N
Molecular Weight 338.524 g/mol
SMILES C1(SCCCS1)=CC(C(O)(CC)CC)C=1C=CC=CC1OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951138