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(-)-(S)-2-Methyl-2,3-dihydrobenzo[b]thiophene
SpectraBase Compound ID E1LVgwFhdX2
InChI InChI=1S/C9H10S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKey ZEAQOIXHQBWPOW-ZETCQYMHSA-N
Mol Weight 150.24 g/mol
Molecular Formula C9H10S
Exact Mass 150.050321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHyFgEoTl4F
Name (-)-(S)-2-Methyl-2,3-dihydrobenzo[b]thiophene
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 150.050321496 u
Formula C9H10S
InChI InChI=1S/C9H10S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKey ZEAQOIXHQBWPOW-ZETCQYMHSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 150.239 g/mol
Optical Rotation [a]D20 = -91 (c = 0.41, CH2Cl2)
Quality 159
SMILES C1=CC2=C(C=C1)S[C@](C2)(C)[H]
SPLASH splash10-0f79-1900000000-9471c2b23cc73ce4a1ab
Sample Comments 91% ee
Source of Spectrum ACI-56-SM21-5a (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.41 (pentane)
Wiley ID 1895801