| SpectraBase Spectrum ID |
5zZMqwAbQJK |
| Name |
(4S)-4-Tert-butyl-2-phenyl-4,5-dihydro-1,3-oxazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.131014170 u |
| Formula |
C13H17NO |
| InChI |
InChI=1S/C13H17NO/c1-13(2,3)11-9-15-12(14-11)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m1/s1 |
| InChIKey |
ZRTJCMABQDWDRU-LLVKDONJSA-N |
| Molecular Weight |
203.285 g/mol |
| SMILES |
C1(=N[C@](CO1)(C(C)(C)C)[H])C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964805 |
