| SpectraBase Spectrum ID |
B5Imar6v6br |
| Name |
2-Cyclopenten-1-one, 3,5,5-trimethoxy-2-(2-phenylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.136159120 u |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-18-14-11-16(19-2,20-3)15(17)13(14)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3 |
| InChIKey |
SNGCCAHANIUQFV-UHFFFAOYSA-N |
| SMILES |
C=1(C(C(OC)(OC)CC1OC)=O)CCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926925 |
