SpectraBase Compound ID | ADIbK0V6BId |
---|---|
InChI | InChI=1S/C10H10O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-7H,3-5H2 |
InChIKey | JFUGANDOIVLPKQ-UHFFFAOYSA-N |
Mol Weight | 146.19 g/mol |
Molecular Formula | C10H10O |
Exact Mass | 146.073165 g/mol |
SpectraBase Spectrum ID | 7owcEkXwQ62 |
---|---|
Name | Endo-tricyclo[5.2.1.0(2,6)]deca-2(6),8-dien-3-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 146.073164941 u |
Formula | C10H10O |
InChI | InChI=1S/C10H10O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-2,6-7H,3-5H2 |
InChIKey | JFUGANDOIVLPKQ-UHFFFAOYSA-N |
Molecular Weight | 146.189 g/mol |
SMILES | C12=C(C3CC2C=C3)CCC1=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975796 |