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(1,1-(2)H2,7-(13)C)-(2E,6E)-farnesol
SpectraBase Compound ID KY4oQ7T28A0
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+/i12D2,14+1
InChIKey CRDAMVZIKSXKFV-HXYHVEJTSA-N
Mol Weight 225.38 g/mol
Molecular Formula C1413CH242H2O
Exact Mass 225.214274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CklOnyC5cU4
Name (1,1-(2)H2,7-(13)C)-(2E,6E)-farnesol
Alternate Name(s) (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-7-¹³C-1,1-d2-1-ol
Comments Original formula: C14[13C]H24D2O
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+/i12D2,14+1
InChIKey CRDAMVZIKSXKFV-HXYHVEJTSA-N
Literature Reference DOI 10.1002/cbic.201500543
Molecular Weight 225.377 g/mol
SMILES OC(\C=C\(CC\C=[13C]\(CCC=C(C)C)C)C)([2H])[2H]
SPLASH splash10-014i-9200000000-29de1f7ff06fb1de3be2
Source of Spectrum CBC-17-146-SM31-((1,1_(2)H2,7_(13)C)_(2E,6E)_5)
Wiley ID 1794753