| SpectraBase Spectrum ID |
VkPMDC3gL2 |
| Name |
1-Phenylhexane-3,4-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-2-11(13)12(14)9-8-10-6-4-3-5-7-10/h3-7,11-14H,2,8-9H2,1H3/t11-,12-/m1/s1 |
| InChIKey |
JRJFROPHIXQTEY-VXGBXAGGSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
CC[C@]([C@@](CCC1=CC=CC=C1)(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93339 |
