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4-Isopropyl-5,5-dimethyl-7-phenylhepta-1,2-dien-6-yn-4-ol

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

4-Isopropyl-5,5-dimethyl-7-phenylhepta-1,2-dien-6-yn-4-ol
SpectraBase Compound ID 50tEwWSY2jW
InChI InChI=1S/C18H22O/c1-6-13-18(19,15(2)3)17(4,5)14-12-16-10-8-7-9-11-16/h7-11,13,15,19H,1H2,2-5H3
InChIKey NSVCHJRQIHVXJR-UHFFFAOYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GBA3GtXAkf3
Name 4-Isopropyl-5,5-dimethyl-7-phenylhepta-1,2-dien-6-yn-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.167065327 u
Formula C18H22O
InChI InChI=1S/C18H22O/c1-6-13-18(19,15(2)3)17(4,5)14-12-16-10-8-7-9-11-16/h7-11,13,15,19H,1H2,2-5H3
InChIKey NSVCHJRQIHVXJR-UHFFFAOYSA-N
Molecular Weight 254.373 g/mol
SMILES C(C)(C)(C(C=C=C)(O)C(C)C)C#CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961669