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Cyclooctanone, 3-methoxy-3-methyl-
SpectraBase Compound ID Iiu7VrtahLz
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
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 50jerHi7ygq
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
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