| SpectraBase Spectrum ID |
1LjjEmaRM0E |
| Name |
(2R,4S)-3,3,4-Trimethyl-2-phenyl-oxetane-2-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-5-17-13(16)15(12-9-7-6-8-10-12)14(3,4)11(2)18-15/h6-11H,5H2,1-4H3/t11-,15-/m0/s1 |
| InChIKey |
KTJFMBMKAUDVEH-NHYWBVRUSA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
[C@]1(C(C)(C)[C@@](O1)(C)[H])(C(=O)OCC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980643 |
