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farnesal, 1MEOX
SpectraBase Compound ID Is0kshn2U2f
InChI InChI=1S/C16H27NO/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-18-5/h8,10,12-13H,6-7,9,11H2,1-5H3/b15-10+,16-12+,17-13-
InChIKey PBXBZXHATJKXMN-YMJADTOFSA-N
Mol Weight 249.4 g/mol
Molecular Formula C16H27NO
Exact Mass 249.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JR8qLdUN3z9
Name farnesal, 1MEOX
Comments Derivatization type: 1 MEOX (mass: 249.209); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000942; Note: The molecular formula of the structure shown is C15H24O - which differs from the formula reported for the mass spectrum (C16H27NO)
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Formula C16H27NO
InChI InChI=1S/C16H27NO/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-17-18-5/h8,10,12-13H,6-7,9,11H2,1-5H3/b15-10+,16-12+,17-13-
InChIKey PBXBZXHATJKXMN-YMJADTOFSA-N
Molecular Weight 249.398 g/mol
SMILES CC(C)=CCC\C(=C\CC\C(=C\C=N/OC)C)C
SPLASH splash10-052g-5900000000-18c584727d81d57ce5c3
Source of Spectrum FM-2019-942-0
Synonyms Farnesal, 1MEOX EINECS 242-957-9, 1MEOX AI3-32959, 1MEOX 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, 1MEOX 19317-11-4, 1MEOX 3,7,11-trimethyldodeca-2,6,10-trienal, 1MEOX (1Z,2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal O-methyl oxime
Wiley ID 1818606