| SpectraBase Spectrum ID |
AsCGQBkMDMZ |
| Name |
3-Hexadecyl-4-methoxy-5-methyloxolan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.313395209 u |
| Formula |
C22H42O3 |
| InChI |
InChI=1S/C22H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-21(24-3)19(2)25-22(20)23/h19-21H,4-18H2,1-3H3 |
| InChIKey |
DJNFXUFERDZHCD-UHFFFAOYSA-N |
| Molecular Weight |
354.575 g/mol |
| SMILES |
C1(OC(C(C1CCCCCCCCCCCCCCCC)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896954 |
