| SpectraBase Spectrum ID |
FGJih3wKVzG |
| Name |
5-(4-Methoxyphenyl)-4-tosyl-2-oxazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.087829201 u |
| Formula |
C17H17NO4S |
| InChI |
InChI=1S/C17H17NO4S/c1-12-3-9-15(10-4-12)23(19,20)17-16(22-11-18-17)13-5-7-14(21-2)8-6-13/h3-11,16-17H,1-2H3/t16-,17-/m0/s1 |
| InChIKey |
HQLBYNGTAIMZPF-IRXDYDNUSA-N |
| Molecular Weight |
331.386 g/mol |
| SMILES |
[C@]1(S(C2=CC=C(C=C2)C)(=O)=O)(N=CO[C@]1(C=1C=CC(=CC1)OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958772 |
