| SpectraBase Spectrum ID |
ETA9zQEl7Dn |
| Name |
2-(4-Benzoxy-6-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-2-oxazoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.141972775 u |
| Formula |
C20H21NO5 |
| InChI |
InChI=1S/C20H21NO5/c1-20(2)11-24-19(21-20)16-14(22-3)9-15-17(26-12-25-15)18(16)23-10-13-7-5-4-6-8-13/h4-9H,10-12H2,1-3H3 |
| InChIKey |
KATGPLCYKAFODJ-UHFFFAOYSA-N |
| Molecular Weight |
355.390 g/mol |
| SMILES |
C1(C=2C(=C3OCOC3=CC2OC)OCC=2C=CC=CC2)=NC(C)(C)CO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80891 |
