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(2Z)-(3-13C,1,1-2H2)Geranylgeraniol
SpectraBase Compound ID G6vsch9jVsk
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/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15-/i16D2,20+1
InChIKey OJISWRZIEWCUBN-BPYCVLAESA-N
Mol Weight 293.5 g/mol
Molecular Formula C1913CH32D2O
Exact Mass 293.276874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVIqxZ0LtGH
Name (2Z)-(3-13C,1,1-2H2)Geranylgeraniol
Appearance Colourless oil
Comments Original formula: C19[13C]H32D2O
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/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15-/i16D2,20+1
InChIKey OJISWRZIEWCUBN-BPYCVLAESA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812216
Molecular Weight 293.496 g/mol
SMILES OC(\C=[13C]/(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)([D])[D]
SPLASH splash10-014i-9200000000-53e9250416c024065758
Source of Spectrum ACI-58-SM53-(2Z)-S5
Thin-Layer Chromatography Rf = 0.47 (cyclohexane/EtOAc, 3:1)
Wiley ID 1840408