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2-[(2,4,6-Trimethylphenyl)sulfinyl]benzaldehyde

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

2-[(2,4,6-Trimethylphenyl)sulfinyl]benzaldehyde
SpectraBase Compound ID ER00ey4CPgh
InChI InChI=1S/C16H16O2S/c1-11-8-12(2)16(13(3)9-11)19(18)15-7-5-4-6-14(15)10-17/h4-10H,1-3H3
InChIKey KMGYITJRQVFOHZ-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H0y7jxUT5dQ
Name 2-[(2,4,6-Trimethylphenyl)sulfinyl]benzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.087100927 u
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-11-8-12(2)16(13(3)9-11)19(18)15-7-5-4-6-14(15)10-17/h4-10H,1-3H3
InChIKey KMGYITJRQVFOHZ-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES C=1(S(C=2C(C=O)=CC=CC2)=O)C(=CC(=CC1C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912894