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(E)-6,6-dimethyl-4-tosylhept-3-ene-2,5-dione

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

(E)-6,6-dimethyl-4-tosylhept-3-ene-2,5-dione
SpectraBase Compound ID KWhNTFfklqu
InChI InChI=1S/C16H20O4S/c1-11-6-8-13(9-7-11)21(19,20)14(10-12(2)17)15(18)16(3,4)5/h6-10H,1-5H3/b14-10+
InChIKey HHNCOBCDXOSXDE-GXDHUFHOSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HZNQbweEnJ2
Name (E)-6,6-Dimethyl-4-tosylhept-3-ene-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.108230294 u
Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-11-6-8-13(9-7-11)21(19,20)14(10-12(2)17)15(18)16(3,4)5/h6-10H,1-5H3/b14-10+
InChIKey HHNCOBCDXOSXDE-GXDHUFHOSA-N
Molecular Weight 308.392 g/mol
SMILES C=1(S(\C(C(C(C)(C)C)=O)=C/C(=O)C)(=O)=O)C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830972