| SpectraBase Spectrum ID |
jHfY7fge2N |
| Name |
(R)-3-(2-Methylphenoxy)propane-1,2-diol 1-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.104858991 u |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-9-5-3-4-6-12(9)16-8-11(14)7-15-10(2)13/h3-6,11,14H,7-8H2,1-2H3/t11-/m0/s1 |
| InChIKey |
RKLHGOJSHSNCCB-NSHDSACASA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C(=O)(OC[C@@](COC=1C(C)=CC=CC1)(O)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965341 |
