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9-(2-Hydroxypropyl)-9-heptadecanol

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

9-(2-Hydroxypropyl)-9-heptadecanol
SpectraBase Compound ID GFq5HjdNdGT
InChI InChI=1S/C20H42O2/c1-4-6-8-10-12-14-16-20(22,18-19(3)21)17-15-13-11-9-7-5-2/h19,21-22H,4-18H2,1-3H3
InChIKey BLGCUGYNVJDPJM-UHFFFAOYSA-N
Mol Weight 314.6 g/mol
Molecular Formula C20H42O2
Exact Mass 314.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IWPHANFI5pO
Name 9-(2-Hydroxypropyl)-9-heptadecanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.318480590 u
Formula C20H42O2
InChI InChI=1S/C20H42O2/c1-4-6-8-10-12-14-16-20(22,18-19(3)21)17-15-13-11-9-7-5-2/h19,21-22H,4-18H2,1-3H3
InChIKey BLGCUGYNVJDPJM-UHFFFAOYSA-N
Molecular Weight 314.554 g/mol
SMILES CCCCCCCCC(CCCCCCCC)(O)CC(C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887617