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(4R,5S,6S)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,10-tetramethyl-5-oxidanyl-undec-10-en-3-one

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

(4R,5S,6S)-2-[(4S)-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,10-tetramethyl-5-oxidanyl-undec-10-en-3-one
SpectraBase Compound ID C4FauMMBvxw
InChI InChI=1S/C21H38O4/c1-14(2)10-9-11-15(3)18(22)16(4)19(23)20(5,6)17-12-13-24-21(7,8)25-17/h15-18,22H,1,9-13H2,2-8H3/t15-,16+,17-,18-/m0/s1
InChIKey ZZFINDNKEUCXBD-MHORFTMASA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kk055LnACk6
Name (4R,5S,6S)-2-[(4S)-2,2-Dimethyl-1,3-dioxan-4-yl]-2,4,6,10-tetramethyl-5-oxidanyl-undec-10-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.277009700 u
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-14(2)10-9-11-15(3)18(22)16(4)19(23)20(5,6)17-12-13-24-21(7,8)25-17/h15-18,22H,1,9-13H2,2-8H3/t15-,16+,17-,18-/m0/s1
InChIKey ZZFINDNKEUCXBD-MHORFTMASA-N
Molecular Weight 354.531 g/mol
SMILES C(C([C@]1(OC(C)(C)OCC1)[H])(C)C)([C@@]([C@]([C@](CCCC(=C)C)(C)[H])(O)[H])(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963247