For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S)-(3-13C, 1-2H)Geranylgeraniol
SpectraBase Compound ID J09eye2jtA1
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+/i16D,20+1/t16-/m0/s1
InChIKey OJISWRZIEWCUBN-PSZULQTRSA-N
Mol Weight 292.5 g/mol
Molecular Formula C1913CH33DO
Exact Mass 292.270597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 17pqV8kOCOX
Name (1S)-(3-13C, 1-2H)Geranylgeraniol
Appearance Colourless oil
Comments Original formula: C19[13C]H33DO
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+/i16D,20+1/t16-/m0/s1
InChIKey OJISWRZIEWCUBN-PSZULQTRSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201812216
Molecular Weight 292.489 g/mol
SMILES O[C@](\C=[13C]\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)([D])[H]
SPLASH splash10-014i-9400000000-41e0975b8fb55eabf343
Sample Comments 98% ee
Source of Spectrum ACI-58-SM54-(1S)-S8
Thin-Layer Chromatography Rf = 0.41 (cyclohexane/EtOAc, 3:1)
Wiley ID 1840404