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[(1R,3S)-1,3,6-trimethylhept-5-enyl]benzene
SpectraBase Compound ID 17ECNU446G4
InChI InChI=1S/C16H24/c1-13(2)10-11-14(3)12-15(4)16-8-6-5-7-9-16/h5-10,14-15H,11-12H2,1-4H3/t14-,15+/m0/s1
InChIKey SJHLRJWWPIONFD-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 9UGDGwg0ZlT
Name [(1R,3S)-1,3,6-trimethylhept-5-enyl]benzene
Appearance Colorless oil
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Formula C16H24
InChI InChI=1S/C16H24/c1-13(2)10-11-14(3)12-15(4)16-8-6-5-7-9-16/h5-10,14-15H,11-12H2,1-4H3/t14-,15+/m0/s1
InChIKey SJHLRJWWPIONFD-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[C@](CC=C(C)C)(C)[H])[H])ccccc1
SPLASH splash10-0aos-1900000000-5b8ae8b6eeaa3729d24d
Sample Comments dr = 95:5
Source of Spectrum ACI-58-SM17-anti-5a
Wiley ID 1840568