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(E)-3-(3-Isopropylphenyl)-2-but-2-enol

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(E)-3-(3-Isopropylphenyl)-2-but-2-enol
SpectraBase Compound ID 49FPhWGhnJm
InChI InChI=1S/C13H18O/c1-9(2)12-6-5-7-13(8-12)10(3)11(4)14/h5-9,14H,1-4H3/b11-10+
InChIKey URTUEDNXNFONRJ-ZHACJKMWSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6ud8kcZZwKs
Name (E)-3-(3-Isopropylphenyl)-2-but-2-enol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 190.135765199 u
Formula C13H18O
InChI InChI=1S/C13H18O/c1-9(2)12-6-5-7-13(8-12)10(3)11(4)14/h5-9,14H,1-4H3/b11-10+
InChIKey URTUEDNXNFONRJ-ZHACJKMWSA-N
Molecular Weight 190.286 g/mol
SMILES C=1(\C(=C/(O)C)C)C=C(C(C)C)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931335