SpectraBase Compound ID | 32n7RfLX1fz |
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InChI | InChI=1S/C10H18O/c1-7(2)8(3)9-5-4-6-10(9)11/h7-9H,4-6H2,1-3H3 |
InChIKey | RIXYJGHKYVBWMJ-UHFFFAOYSA-N |
Mol Weight | 154.25 g/mol |
Molecular Formula | C10H18O |
Exact Mass | 154.135765 g/mol |
SpectraBase Spectrum ID | 69ZEHoQOi3Z |
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Name | 2-(1,2-Dimethylpropyl)cyclopentanone |
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)8(3)9-5-4-6-10(9)11/h7-9H,4-6H2,1-3H3 |
InChIKey | RIXYJGHKYVBWMJ-UHFFFAOYSA-N |
Molecular Weight | 154.253 g/mol |
SMILES | C1(C(C(C)C)C)C(=O)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922422 |