| SpectraBase Spectrum ID |
FHITy49x6mL |
| Name |
Spiro[benzo[7]annulene-5,1'-cyclobutan]-7(6H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.104465070 u |
| Formula |
C14H14O |
| InChI |
InChI=1S/C14H14O/c15-12-7-6-11-4-1-2-5-13(11)14(10-12)8-3-9-14/h1-2,4-7H,3,8-10H2 |
| InChIKey |
CEUGCMXEKQZLOX-UHFFFAOYSA-N |
| Molecular Weight |
198.265 g/mol |
| SMILES |
C=12C(C=CC(CC22CCC2)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885584 |
![Spiro[benzo[7]annulene-5,1'-cyclobutan]-7(6H)-one](/api/spectrum/FHITy49x6mL/structure.png?h=300&w=458 "Spiro[benzo[7]annulene-5,1'-cyclobutan]-7(6H)-one")
