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.alpha.-(Hydroxymethylene)cyclododecanone

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

.alpha.-(Hydroxymethylene)cyclododecanone
SpectraBase Compound ID IuNsAR69q6i
InChI InChI=1S/C13H22O2/c14-11-12-9-7-5-3-1-2-4-6-8-10-13(12)15/h11,14H,1-10H2/b12-11+
InChIKey USIZNIIJMKKBLR-VAWYXSNFSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F8uQRTEdW9s
Name .alpha.-(Hydroxymethylene)cyclododecanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c14-11-12-9-7-5-3-1-2-4-6-8-10-13(12)15/h11,14H,1-10H2/b12-11+
InChIKey USIZNIIJMKKBLR-VAWYXSNFSA-N
Molecular Weight 210.317 g/mol
SMILES C1(\C(CCCCCCCCCC1)=C\O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934918