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SpectraBase Compound ID | Iiu7VrtahLz |
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InChI | InChI=1S/C10H18O2/c1-10(12-2)7-5-3-4-6-9(11)8-10/h3-8H2,1-2H3 |
InChIKey | DTKJKVGCSFPHDP-UHFFFAOYSA-N |
Mol Weight | 170.25 g/mol |
Molecular Formula | C10H18O2 |
Exact Mass | 170.13068 g/mol |
SpectraBase Spectrum ID | 50jerHi7ygq |
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Name | Cyclooctanone, 3-methoxy-3-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.130679818 u |
Formula | C10H18O2 |
InChI | InChI=1S/C10H18O2/c1-10(12-2)7-5-3-4-6-9(11)8-10/h3-8H2,1-2H3 |
InChIKey | DTKJKVGCSFPHDP-UHFFFAOYSA-N |
Molecular Weight | 170.252 g/mol |
SMILES | C1(CC(=O)CCCCC1)(OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966312 |