SpectraBase Spectrum ID |
CDAgpUZRgqj |
Name |
9-Methyl-1-phenyldecan-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.214015521 u |
Formula |
C17H28O |
InChI |
InChI=1S/C17H28O/c1-15(2)11-7-4-3-5-10-14-17(18)16-12-8-6-9-13-16/h6,8-9,12-13,15,17-18H,3-5,7,10-11,14H2,1-2H3 |
InChIKey |
BHXIBVVFUIRECP-UHFFFAOYSA-N |
Molecular Weight |
248.410 g/mol |
SMILES |
C1(=CC=CC=C1)C(O)CCCCCCCC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949418 |