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(E)-1-(2-Isopropylphenyl)oct-3-en-1-yne

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(E)-1-(2-Isopropylphenyl)oct-3-en-1-yne
SpectraBase Compound ID G0Qo3iG9d2M
InChI InChI=1S/C17H22/c1-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15(2)3/h7-8,10-11,13-15H,4-6H2,1-3H3/b8-7+
InChIKey WRKFTZMHXMOBPI-BQYQJAHWSA-N
Mol Weight 226.36 g/mol
Molecular Formula C17H22
Exact Mass 226.172151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FWeA6O8SYqJ
Name (E)-1-(2-Isopropylphenyl)oct-3-en-1-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.172150708 u
Formula C17H22
InChI InChI=1S/C17H22/c1-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15(2)3/h7-8,10-11,13-15H,4-6H2,1-3H3/b8-7+
InChIKey WRKFTZMHXMOBPI-BQYQJAHWSA-N
Molecular Weight 226.363 g/mol
SMILES C(#C\C=C\CCCC)C=1C(=CC=CC1)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930904