| SpectraBase Spectrum ID |
1F0fnFUhbjH |
| Name |
(2S)-2-Benzoxypentan-3-one |
| 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/c1-3-12(13)10(2)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1 |
| InChIKey |
DEOOBELFQJXOAE-JTQLQIEISA-N |
| Molecular Weight |
192.258 g/mol |
| SMILES |
C(=O)([C@@](OCC=1C=CC=CC1)(C)[H])CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973444 |
