| SpectraBase Spectrum ID |
2C2foU56qMN |
| Name |
5H-Benzo[3,4]cyclobuta[1,2]cyclohepten-5-one, 4B,6,7,8-tetrahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.088815005 u |
| Formula |
C13H12O |
| InChI |
InChI=1S/C13H12O/c14-12-8-4-3-7-11-9-5-1-2-6-10(9)13(11)12/h1-3,5-7,11,13H,4,8H2 |
| InChIKey |
QBTMXKHZKRROJZ-UHFFFAOYSA-N |
| Molecular Weight |
184.238 g/mol |
| SMILES |
C12C(C(=O)CCC=C2)C2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969326 |
![5H-Benzo[3,4]cyclobuta[1,2]cyclohepten-5-one, 4b,6,7,8-tetrahydro-](/api/spectrum/2C2foU56qMN/structure.png?h=300&w=458 "5H-Benzo[3,4]cyclobuta[1,2]cyclohepten-5-one, 4b,6,7,8-tetrahydro-")
