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(2-(13)C)-6,7-dihydrogeraniol
SpectraBase Compound ID E6MLsPVoujy
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+/i7+1
InChIKey JNAWJUOCXKIHHG-RYLCWWANSA-N
Mol Weight 157.26 g/mol
Molecular Formula C913CH20O
Exact Mass 157.15477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Des7pySXfY2
Name (2-(13)C)-6,7-dihydrogeraniol
Appearance Colorless oil
Carrier Gas Helium
Comments Original formula: C9[13C]H20O
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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+/i7+1
InChIKey JNAWJUOCXKIHHG-RYLCWWANSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.202014180
Molecular Weight 157.261 g/mol
Reported Formula C9(13)C1H201O
SMILES C(\C(=[13CH]\CO)C)CCC(C)C
SPLASH splash10-00di-9000000000-3a977e250b20663a74b3
Source of Spectrum ACI-60-SM52-S3c
Thin-Layer Chromatography Rf = 0.45 (pentane/Et2O, 1:1)
Wiley ID 1880490