| SpectraBase Spectrum ID |
3ywCDThxlss |
| Name |
(+-)-(2R,3S,6R)-6-methyl-2-(2-oxo-2-phenylethyl)tetrahydro-2H-3-pyranyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.136159120 u |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-11-8-9-15(20-12(2)17)16(19-11)10-14(18)13-6-4-3-5-7-13/h3-7,11,15-16H,8-10H2,1-2H3/t11-,15+,16-/m1/s1 |
| InChIKey |
CNRLKUIDGMUEFK-XFBWCDHKSA-N |
| SMILES |
[C@@]1(CC(=O)C2=CC=CC=C2)(O[C@](C)(CC[C@@]1(OC(=O)C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870438 |
