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(S)-Geranylcitronellal
SpectraBase Compound ID ERnjXVs4eIE
InChI InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,16,20H,6-8,10,12,14-15H2,1-5H3/b18-11+,19-13+/t20-/m0/s1
InChIKey NTBMFUBVSCXRCB-UJMPLXFMSA-N
Mol Weight 290.5 g/mol
Molecular Formula C20H34O
Exact Mass 290.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdJVVIXI2zW
Name (S)-Geranylcitronellal
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O
InChI InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,16,20H,6-8,10,12,14-15H2,1-5H3/b18-11+,19-13+/t20-/m0/s1
InChIKey NTBMFUBVSCXRCB-UJMPLXFMSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202100372
Molecular Weight 290.491 g/mol
Optical Rotation [a]D25.0 = -6.54 (c = 1.04, CH2Cl2)
SMILES C(C[C@@](CC=O)(C)[H])\C=C\(CC\C=C\(CCC=C(C)C)C)C
SPLASH splash10-014i-9000000000-f28148b02a54162cabab
Source of Spectrum CBC-22-SM48-(S)-S3
Wiley ID 1865302