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[(2R,3S)-2,3,6-trimethylhept-5-enyl]benzene
SpectraBase Compound ID 5tT32zLQA0l
InChI InChI=1S/C16H24/c1-13(2)10-11-14(3)15(4)12-16-8-6-5-7-9-16/h5-10,14-15H,11-12H2,1-4H3/t14-,15+/m0/s1
InChIKey BMJYRLYCQSIIFZ-LSDHHAIUSA-N
Mol Weight 216.37 g/mol
Molecular Formula C16H24
Exact Mass 216.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8C5GuLyZ8bs
Name [(2R,3S)-2,3,6-trimethylhept-5-enyl]benzene
Appearance Colorless oil
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Formula C16H24
InChI InChI=1S/C16H24/c1-13(2)10-11-14(3)15(4)12-16-8-6-5-7-9-16/h5-10,14-15H,11-12H2,1-4H3/t14-,15+/m0/s1
InChIKey BMJYRLYCQSIIFZ-LSDHHAIUSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.201811330
Molecular Weight 216.368 g/mol
Reported Formula C16H24
SMILES c1(C[C@]([C@](CC=C(C)C)(C)[H])(C)[H])ccccc1
SPLASH splash10-0006-9300000000-3095c79c7c7008a82558
Sample Comments dr = 98:2
Source of Spectrum ACI-58-SM18-anti-5b
Wiley ID 1840569