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(12R)-12-methyl-1-oxacyclotridecan-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(12R)-12-methyl-1-oxacyclotridecan-2-one
SpectraBase Compound ID 4an79iYAwLf
InChI InChI=1S/C13H24O2/c1-12-9-7-5-3-2-4-6-8-10-13(14)15-11-12/h12H,2-11H2,1H3/t12-/m1/s1
InChIKey YLQDOWHMGXMFOX-GFCCVEGCSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B3sjuUT2PaC
Name (12R)-12-Methyl-1-oxacyclotridecan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-12-9-7-5-3-2-4-6-8-10-13(14)15-11-12/h12H,2-11H2,1H3/t12-/m1/s1
InChIKey YLQDOWHMGXMFOX-GFCCVEGCSA-N
Molecular Weight 212.333 g/mol
SMILES C1(OC[C@](C)(CCCCCCCCC1)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948802