| SpectraBase Spectrum ID |
89jiTxoRqjh |
| Name |
(1R)-1-(4-Methoxyphenyl)-1-oxidanyl-propan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
180.078644243 u |
| Formula |
C10H12O3 |
| InChI |
InChI=1S/C10H12O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-6,10,12H,1-2H3/t10-/m0/s1 |
| InChIKey |
UVVXGUZSUNRWQG-JTQLQIEISA-N |
| Molecular Weight |
180.203 g/mol |
| SMILES |
[C@@](C(=O)C)(C=1C=CC(=CC1)OC)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928945 |
