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(R)-(1-(13)C,1-(2)H)-6,7-dihydrogeraniol
SpectraBase Compound ID HOz6KvHHxDE
InChI InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h7,9,11H,4-6,8H2,1-3H3/b10-7+/i8+1D/t8-/m1/s1
InChIKey JNAWJUOCXKIHHG-SVOQBERESA-N
Mol Weight 158.27 g/mol
Molecular Formula C913CH19DO
Exact Mass 158.161047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmkHEtd21XQ
Name (R)-(1-(13)C,1-(2)H)-6,7-dihydrogeraniol
Appearance Colorless oil
Carrier Gas Helium
Comments Original formula: C9[13C]H19DO
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Formula C10H20O
InChI InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h7,9,11H,4-6,8H2,1-3H3/b10-7+/i8+1D/t8-/m1/s1
InChIKey JNAWJUOCXKIHHG-SVOQBERESA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.202014180
Molecular Weight 158.267 g/mol
Reported Formula C9(13)C1H19D1O
SMILES [13C@@]([H])(\C=C\(CCCC(C)C)C)(O)[D]
SPLASH splash10-00di-9000000000-5650f53e50aa88d81644
Sample Comments 99% ee
Source of Spectrum ACI-60-SM73-(R)-S7
Thin-Layer Chromatography Rf = 0.30 (pentane/diethyl ether, 7:3)
Wiley ID 1880480