SpectraBase Spectrum ID |
BvtSDU23hQE |
Name |
Oxeladin |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
335.246043924 u |
Formula |
C20H33NO3 |
InChI |
InChI=1S/C20H33NO3/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4/h9-13H,5-8,14-17H2,1-4H3 |
InChIKey |
IQADUMSPOQKAAO-UHFFFAOYSA-N |
Molecular Weight |
335.488 g/mol |
SMILES |
C1=CC(=CC=C1)C(CC)(CC)C(OCCOCCN(CC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879294 |