| SpectraBase Spectrum ID |
2anjEm48uUN |
| Name |
(R,R)-2-(p-Methylphenyloxy)pentan-4-ol |
| 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/c1-9-4-6-12(7-5-9)14-11(3)8-10(2)13/h4-7,10-11,13H,8H2,1-3H3/t10-,11-/m1/s1 |
| InChIKey |
PMXUMPQXUVODEY-GHMZBOCLSA-N |
| Molecular Weight |
194.274 g/mol |
| SMILES |
C([C@](OC=1C=CC(=CC1)C)(C)[H])[C@](O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946049 |
