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5-(Phenylsulfonyl)octa-5,6-dien-1-al

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

5-(Phenylsulfonyl)octa-5,6-dien-1-al
SpectraBase Compound ID 70o45psp8lp
InChI InChI=1S/C14H16O3S/c1-2-8-13(11-6-7-12-15)18(16,17)14-9-4-3-5-10-14/h2-5,9-10,12H,6-7,11H2,1H3
InChIKey LKDVBOGIEXLSCI-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C14H16O3S
Exact Mass 264.082016 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Mcq23kMrS0
Name 5-(Phenylsulfonyl)octa-5,6-dien-1-al
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.082015546 u
Formula C14H16O3S
InChI InChI=1S/C14H16O3S/c1-2-8-13(11-6-7-12-15)18(16,17)14-9-4-3-5-10-14/h2-5,9-10,12H,6-7,11H2,1H3
InChIKey LKDVBOGIEXLSCI-UHFFFAOYSA-N
Molecular Weight 264.339 g/mol
SMILES C(S(=O)(=O)C=1C=CC=CC1)(=C=CC)CCCC=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827007