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(13R,14S)-13,14-dimethyl-1-oxacyclotetradecan-2-one

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

(13R,14S)-13,14-dimethyl-1-oxacyclotetradecan-2-one
SpectraBase Compound ID AcgHa0qmXWy
InChI InChI=1S/C15H28O2/c1-13-11-9-7-5-3-4-6-8-10-12-15(16)17-14(13)2/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKey YPLJYGOUHUQQCH-KBPBESRZSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1bJK58248GR
Name (13R,14S)-13,14-Dimethyl-1-oxacyclotetradecan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-13-11-9-7-5-3-4-6-8-10-12-15(16)17-14(13)2/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
InChIKey YPLJYGOUHUQQCH-KBPBESRZSA-N
Molecular Weight 240.387 g/mol
SMILES C1(O[C@]([C@](CCCCCCCCCC1)(C)[H])(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950004