SpectraBase Spectrum ID |
BVFoi1owxcX |
Name |
3-[(2'-Cyclohexylidene)ethylidene]dihydro-2(3H)-furanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
192.115029753 u |
Formula |
C12H16O2 |
InChI |
InChI=1S/C12H16O2/c13-12-11(8-9-14-12)7-6-10-4-2-1-3-5-10/h6-7H,1-5,8-9H2/b11-7- |
InChIKey |
YGUCLQBPSLQYSR-XFFZJAGNSA-N |
Molecular Weight |
192.258 g/mol |
SMILES |
C1(\C(=C/C=C2CCCCC2)CCO1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916316 |