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(6S)-6-undecyl-2-oxanone

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

(6S)-6-undecyl-2-oxanone
SpectraBase Compound ID BQSGUqlwheR
InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h15H,2-14H2,1H3/t15-/m0/s1
InChIKey ZMJKQSSFLIFELJ-HNNXBMFYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3g8bBzC2wDn
Name (6S)-6-Undecyl-2-oxanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h15H,2-14H2,1H3/t15-/m0/s1
InChIKey ZMJKQSSFLIFELJ-HNNXBMFYSA-N
Molecular Weight 254.414 g/mol
SMILES C1(O[C@](CCC1)(CCCCCCCCCCC)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946783