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(empty object) |
SpectraBase Compound ID | C63x3Eh63mu |
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InChI | InChI=1S/C8H12O/c1-8-4-2-3-6(8)7(9)5-8/h6H,2-5H2,1H3 |
InChIKey | DOJSZSVGTBFKNV-UHFFFAOYSA-N |
Mol Weight | 124.18 g/mol |
Molecular Formula | C8H12O |
Exact Mass | 124.088815 g/mol |
SpectraBase Spectrum ID | 9pK9Yzv3f40 |
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Name | 5-Methyl-7-bicyclo[3.2.0]heptanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 124.088815005 u |
Formula | C8H12O |
InChI | InChI=1S/C8H12O/c1-8-4-2-3-6(8)7(9)5-8/h6H,2-5H2,1H3 |
InChIKey | DOJSZSVGTBFKNV-UHFFFAOYSA-N |
Molecular Weight | 124.183 g/mol |
SMILES | C12(C(CCC2)C(C1)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919499 |