SpectraBase Spectrum ID |
Ic8d7ZieZew |
Name |
3-[2-(1-Hydroxy-1-ethylpropyl)phenyl]-3-pentanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
250.193280075 u |
Formula |
C16H26O2 |
InChI |
InChI=1S/C16H26O2/c1-5-15(17,6-2)13-11-9-10-12-14(13)16(18,7-3)8-4/h9-12,17-18H,5-8H2,1-4H3 |
InChIKey |
GARHURPNDMWOAC-UHFFFAOYSA-N |
Molecular Weight |
250.382 g/mol |
SMILES |
C=1(C(C(O)(CC)CC)=CC=CC1)C(O)(CC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842479 |