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5-[(1R,3S)-1-methyl-3-phenyl-butyl]benzothiophene
SpectraBase Compound ID 6UZjy4Bm7DU
InChI InChI=1S/C19H20S/c1-14(16-6-4-3-5-7-16)12-15(2)17-8-9-19-18(13-17)10-11-20-19/h3-11,13-15H,12H2,1-2H3/t14-,15+/m0/s1
InChIKey LDDTURXENHNUGK-LSDHHAIUSA-N
Mol Weight 280.43 g/mol
Molecular Formula C19H20S
Exact Mass 280.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sWqMY9HICn
Name 5-[(1R,3S)-1-methyl-3-phenyl-butyl]benzothiophene
Appearance Colorless oil
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Formula C19H20S
InChI InChI=1S/C19H20S/c1-14(16-6-4-3-5-7-16)12-15(2)17-8-9-19-18(13-17)10-11-20-19/h3-11,13-15H,12H2,1-2H3/t14-,15+/m0/s1
InChIKey LDDTURXENHNUGK-LSDHHAIUSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.201910397
Reported Formula C19H20S
SMILES c1cccc(c1)[C@](C[C@](c1cc2c(cc1)scc2)(C)[H])(C)[H]
SPLASH splash10-01ot-0900000000-98fd4f12ffb5d50dc2a3
Sample Comments dr = 98:2
Source of Spectrum ACI-59-SM38-syn-6l
Wiley ID 1856775