| SpectraBase Spectrum ID |
38mlLIlJ3oB |
| Name |
2-Pentanone, 4-[2-(hydroxymethyl)phenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-9(7-10(2)14)12-6-4-3-5-11(12)8-13/h3-6,9,13H,7-8H2,1-2H3 |
| InChIKey |
WTHKMRWUNJMJNA-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
C=1(C(CC(=O)C)C)C(CO)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971187 |
![2-Pentanone, 4-[2-(hydroxymethyl)phenyl]-](/api/spectrum/38mlLIlJ3oB/structure.png?h=300&w=458 "2-Pentanone, 4-[2-(hydroxymethyl)phenyl]-")
