For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[(1R,3S)-1-methyl-3-phenyl-butyl]benzothiophene
SpectraBase Compound ID EQwGRaodwil
InChI InChI=1S/C19H20S/c1-14(16-8-4-3-5-9-16)12-15(2)18-13-20-19-11-7-6-10-17(18)19/h3-11,13-15H,12H2,1-2H3/t14-,15+/m0/s1
InChIKey LIHNNKAGXRCUOE-LSDHHAIUSA-N
Mol Weight 280.43 g/mol
Molecular Formula C19H20S
Exact Mass 280.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LLvwDpWwyOj
Name 3-[(1R,3S)-1-methyl-3-phenyl-butyl]benzothiophene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20S
InChI InChI=1S/C19H20S/c1-14(16-8-4-3-5-9-16)12-15(2)18-13-20-19-11-7-6-10-17(18)19/h3-11,13-15H,12H2,1-2H3/t14-,15+/m0/s1
InChIKey LIHNNKAGXRCUOE-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@@](C)(c1c2c(sc1)cccc2)[H])(C)[H]
SPLASH splash10-03di-0900000000-98afd92c76f814ad0884
Sample Comments dr = 97:3
Source of Spectrum ACI-59-SM37-syn-6k
Wiley ID 1856774