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9,9-Difluoro-3-(2-phenylpropyl)-2-methylbut-3-ene-1-ol

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

9,9-Difluoro-3-(2-phenylpropyl)-2-methylbut-3-ene-1-ol
SpectraBase Compound ID 8d9QubomidF
InChI InChI=1S/C14H18F2O/c1-10(12-6-4-3-5-7-12)8-13(14(15)16)11(2)9-17/h3-7,10-11,17H,8-9H2,1-2H3
InChIKey ZWOPYSBVHNWCAE-UHFFFAOYSA-N
Mol Weight 240.29 g/mol
Molecular Formula C14H18F2O
Exact Mass 240.132572 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EKf8Wcfvj6Z
Name 9,9-Difluoro-3-(2-phenylpropyl)-2-methylbut-3-ene-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.132571525 u
Formula C14H18F2O
InChI InChI=1S/C14H18F2O/c1-10(12-6-4-3-5-7-12)8-13(14(15)16)11(2)9-17/h3-7,10-11,17H,8-9H2,1-2H3
InChIKey ZWOPYSBVHNWCAE-UHFFFAOYSA-N
Molecular Weight 240.294 g/mol
SMILES C(=C(F)F)(CC(C=1C=CC=CC1)C)C(CO)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866926