| SpectraBase Spectrum ID |
LpATAV9PTbX |
| Name |
2-Hexadecyl-3-methoxy-2-cyclopenten-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.302830526 u |
| Formula |
C22H40O2 |
| InChI |
InChI=1S/C22H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21(23)18-19-22(20)24-2/h3-19H2,1-2H3 |
| InChIKey |
SVRMPAYYTJGBCX-UHFFFAOYSA-N |
| Molecular Weight |
336.560 g/mol |
| SMILES |
C1(=C(CCC1=O)OC)CCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885551 |
