| SpectraBase Spectrum ID |
JakqzReMqqn |
| Name |
(2R)-3-(Benzyloxy)-2-butyl-1-propanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-2-3-7-14(10-15)12-16-11-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3/t14-/m1/s1 |
| InChIKey |
GNLZSOCECFWNCY-CQSZACIVSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
C(OCC=1C=CC=CC1)[C@@](CO)(CCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927096 |