| SpectraBase Spectrum ID |
54vaAAIKHve |
| Name |
2-Oxetanecarboxylic acid, 3,3,4,4-tetramethyl-2-phenyl-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.125594437 u |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c1-12(2)13(3,4)17-14(12,11(15)16)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,16) |
| InChIKey |
WQSZLLRWOSYZGU-UHFFFAOYSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
C1(C(C)(C)C(O1)(C)C)(C(=O)O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892782 |
