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2-[(E)-1-Methyl-2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethenyl]-1,3-dithiane

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

2-[(E)-1-Methyl-2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethenyl]-1,3-dithiane
SpectraBase Compound ID CltTLAXXVcE
InChI InChI=1S/C16H26S2/c1-12-7-5-8-16(3,4)14(12)11-13(2)15-17-9-6-10-18-15/h7,11,14-15H,5-6,8-10H2,1-4H3/b13-11+
InChIKey CMINKKWECRJHER-ACCUITESSA-N
Mol Weight 282.5 g/mol
Molecular Formula C16H26S2
Exact Mass 282.147593 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Iv1cgkXTgCb
Name 2-[1-Methyl-2-(2,6,6-trimethylcyclohex-2-enyl)vinyl][1,3]dithiane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.147593185 u
Formula C16H26S2
InChI InChI=1S/C16H26S2/c1-12-7-5-8-16(3,4)14(12)11-13(2)15-17-9-6-10-18-15/h7,11,14-15H,5-6,8-10H2,1-4H3/b13-11+
InChIKey CMINKKWECRJHER-ACCUITESSA-N
SMILES C=1CCC(C(C1C)\C=C/(C)C1SCCCS1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984507