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2-Methyl-3-phenyl-3-(phenylmethylsulfanyl)propanal

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

2-Methyl-3-phenyl-3-(phenylmethylsulfanyl)propanal
SpectraBase Compound ID 1X0v3Anh7Gc
InChI InChI=1S/C17H18OS/c1-14(12-18)17(16-10-6-3-7-11-16)19-13-15-8-4-2-5-9-15/h2-12,14,17H,13H2,1H3
InChIKey ZVLNPPSTIRODRL-UHFFFAOYSA-N
Mol Weight 270.39 g/mol
Molecular Formula C17H18OS
Exact Mass 270.107836 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D2b70XUkE85
Name 2-Methyl-3-phenyl-3-(phenylmethylsulfanyl)propanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.107836373 u
Formula C17H18OS
InChI InChI=1S/C17H18OS/c1-14(12-18)17(16-10-6-3-7-11-16)19-13-15-8-4-2-5-9-15/h2-12,14,17H,13H2,1H3
InChIKey ZVLNPPSTIRODRL-UHFFFAOYSA-N
SMILES C(SCC=1C=CC=CC1)(C(C=O)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949664