SpectraBase Compound ID | Kz8ROmyWY2s |
---|---|
InChI | InChI=1S/C10H14O/c1-10-6-2-4-8(10)9(11)5-3-7-10/h4H,2-3,5-7H2,1H3 |
InChIKey | WVFQWKPDQCQLSD-UHFFFAOYSA-N |
Mol Weight | 150.22 g/mol |
Molecular Formula | C10H14O |
Exact Mass | 150.104465 g/mol |
SpectraBase Spectrum ID | KeXrrWjWVCi |
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Name | 7A-Methyl-2,5,6,7-tetrahydro-1H-inden-4-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 150.104465070 u |
Formula | C10H14O |
InChI | InChI=1S/C10H14O/c1-10-6-2-4-8(10)9(11)5-3-7-10/h4H,2-3,5-7H2,1H3 |
InChIKey | WVFQWKPDQCQLSD-UHFFFAOYSA-N |
Molecular Weight | 150.221 g/mol |
SMILES | C1=2C(CCC2)(CCCC1=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962419 |