| SpectraBase Spectrum ID |
LZ6dkwD41CG |
| Name |
(3R)-1-Phenyl-3-(acetyloxy)pentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-3-13(15-11(2)14)10-9-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3/t13-/m1/s1 |
| InChIKey |
YEOFHDDQOPVCRC-CYBMUJFWSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
C(=O)(O[C@@](CCC=1C=CC=CC1)(CC)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911112 |
