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2-(t-Butyl)-1-phenylheptane-1,2-diol

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

2-(t-Butyl)-1-phenylheptane-1,2-diol
SpectraBase Compound ID 1Rl5iv2ouu3
InChI InChI=1S/C17H28O2/c1-5-6-10-13-17(19,16(2,3)4)15(18)14-11-8-7-9-12-14/h7-9,11-12,15,18-19H,5-6,10,13H2,1-4H3
InChIKey QVFOQUVTCXYIBJ-UHFFFAOYSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Q6EWXBeiiO
Name 2-(T-Butyl)-1-phenylheptane-1,2-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.208930140 u
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-5-6-10-13-17(19,16(2,3)4)15(18)14-11-8-7-9-12-14/h7-9,11-12,15,18-19H,5-6,10,13H2,1-4H3
InChIKey QVFOQUVTCXYIBJ-UHFFFAOYSA-N
Molecular Weight 264.409 g/mol
SMILES C(C(CCCCC)(O)C(C)(C)C)(O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962329