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3(R,S)-hydroxy-8(S)-12-dimethyl-1,5(E),11-tridecatriene

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

3(R,S)-hydroxy-8(S)-12-dimethyl-1,5(E),11-tridecatriene
SpectraBase Compound ID wsiKtetno8
InChI InChI=1S/C15H26O/c1-5-15(16)12-7-6-10-14(4)11-8-9-13(2)3/h5-7,9,14-16H,1,8,10-12H2,2-4H3/b7-6+/t14-,15?/m1/s1
InChIKey IZOKJYAQYPSENN-RHCNXEKBSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LMEZSykVfxA
Name 3(R,S)-Hydroxy-8(S)-12-dimethyl-1,5(E),11-tridecatriene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.198365456 u
Formula C15H26O
InChI InChI=1S/C15H26O/c1-5-15(16)12-7-6-10-14(4)11-8-9-13(2)3/h5-7,9,14-16H,1,8,10-12H2,2-4H3/b7-6+/t14-,15?/m1/s1
InChIKey IZOKJYAQYPSENN-RHCNXEKBSA-N
Molecular Weight 222.372 g/mol
SMILES C(=CCC[C@@](C\C=C\CC(C=C)O)(C)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947349