| SpectraBase Spectrum ID |
A1WetWV21Ce |
| Name |
(3R,4S)-3-(Hydroxypropan-2-yl)-4-(.alpha.-cyclohexylbenzyl)tetrahydrofuran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.203844759 u |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-20(2,22)18-16(13-23-19(18)21)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,15-18,22H,4,7-8,11-13H2,1-2H3/t16-,17?,18-/m0/s1 |
| InChIKey |
UGHWBNOOJBLVBP-RGBJRUIASA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
[C@]1([C@](C(C2=CC=CC=C2)C2CCCCC2)(COC1=O)[H])(C(O)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920478 |
