| SpectraBase Spectrum ID |
4OLIQdE7sqa |
| Name |
5-Tert-butyl-4-tosyl-2-oxazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.108564647 u |
| Formula |
C14H19NO3S |
| InChI |
InChI=1S/C14H19NO3S/c1-10-5-7-11(8-6-10)19(16,17)13-12(14(2,3)4)18-9-15-13/h5-9,12-13H,1-4H3/t12-,13+/m1/s1 |
| InChIKey |
FZUUHMDYZWXQJJ-OLZOCXBDSA-N |
| SMILES |
[C@]1(S(C2=CC=C(C=C2)C)(=O)=O)(N=CO[C@]1(C(C)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875922 |
