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(E)-5-[(R)-(p-Tolylsulfinyl)-4-pentenal

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(E)-5-[(R)-(p-Tolylsulfinyl)-4-pentenal
SpectraBase Compound ID C3Dq7Bb4oC9
InChI InChI=1S/C12H14O2S/c1-11-5-7-12(8-6-11)15(14)10-4-2-3-9-13/h4-10H,2-3H2,1H3/b10-4+
InChIKey YUQIGTZVZQKZCH-ONNFQVAWSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F17gaP8e2D9
Name (E)-5-[(R)-(p-Tolylsulfinyl)-4-pentenal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.071450863 u
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-11-5-7-12(8-6-11)15(14)10-4-2-3-9-13/h4-10H,2-3H2,1H3/b10-4+
InChIKey YUQIGTZVZQKZCH-ONNFQVAWSA-N
Molecular Weight 222.302 g/mol
SMILES C=1([S@@](\C=C\CCC=O)=O)C=CC(=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820076