For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

syn-2,2-Dimethyl-3-methylene-7-phenylheptane-4,5-diol

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

syn-2,2-Dimethyl-3-methylene-7-phenylheptane-4,5-diol
SpectraBase Compound ID Ao6y0AncyMF
InChI InChI=1S/C16H24O2/c1-12(16(2,3)4)15(18)14(17)11-10-13-8-6-5-7-9-13/h5-9,14-15,17-18H,1,10-11H2,2-4H3
InChIKey PTCQDNRBZHOOBY-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9uyS1QDmyCf
Name syn-2,2-Dimethyl-3-methylene-7-phenylheptane-4,5-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-12(16(2,3)4)15(18)14(17)11-10-13-8-6-5-7-9-13/h5-9,14-15,17-18H,1,10-11H2,2-4H3
InChIKey PTCQDNRBZHOOBY-UHFFFAOYSA-N
Molecular Weight 248.366 g/mol
SMILES CC(C(C(C(CCC=1C=CC=CC1)O)O)=C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913407