SpectraBase Spectrum ID |
5ew4nRQ9y92 |
Name |
3A-Methyl-6-phenyl-3,4-dihydro-1H-cyclopenta[C]furan-5-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
214.099379689 u |
Formula |
C14H14O2 |
InChI |
InChI=1S/C14H14O2/c1-14-7-12(15)13(11(14)8-16-9-14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
InChIKey |
ZXXCEOAEQAWSPY-UHFFFAOYSA-N |
Molecular Weight |
214.264 g/mol |
SMILES |
C12=C(C(CC1(COC2)C)=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893865 |