SpectraBase Compound ID | 6NZpJYfy6EA |
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InChI | InChI=1S/C10H18O/c1-7(2)5-8-6-9(11)10(8,3)4/h7-8H,5-6H2,1-4H3 |
InChIKey | VPGXVBLEUOHOPF-UHFFFAOYSA-N |
Mol Weight | 154.25 g/mol |
Molecular Formula | C10H18O |
Exact Mass | 154.135765 g/mol |
SpectraBase Spectrum ID | LP27yQg5jjw |
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Name | Cyclobutanone, 2,2-dimethyl-3-(2-methylpropyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 154.135765199 u |
Formula | C10H18O |
InChI | InChI=1S/C10H18O/c1-7(2)5-8-6-9(11)10(8,3)4/h7-8H,5-6H2,1-4H3 |
InChIKey | VPGXVBLEUOHOPF-UHFFFAOYSA-N |
Molecular Weight | 154.253 g/mol |
SMILES | C1(C(=O)CC1CC(C)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983796 |