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(S)-3,3-dimethyl-2-phenylindoline
SpectraBase Compound ID 7iOYygFOadR
InChI InChI=1S/C16H17N/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12/h3-11,15,17H,1-2H3/t15-/m0/s1
InChIKey GBOHOKPJIMHHAH-HNNXBMFYSA-N
Mol Weight 223.32 g/mol
Molecular Formula C16H17N
Exact Mass 223.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4y8MbJUcmQN
Name (S)-3,3-dimethyl-2-phenylindoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.136099551 u
Formula C16H17N
InChI InChI=1S/C16H17N/c1-16(2)13-10-6-7-11-14(13)17-15(16)12-8-4-3-5-9-12/h3-11,15,17H,1-2H3/t15-/m0/s1
InChIKey GBOHOKPJIMHHAH-HNNXBMFYSA-N
Instrument Name Finnigan MET SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605450
Molecular Weight 223.319 g/mol
Optical Rotation [a]D22 = 149.0 (c = 1.0, MeOH)
Quality 268
SMILES N1C=2C=CC=CC2C([C@@]1(C1=CC=CC=C1)[H])(C)C
SPLASH splash10-0ab9-2490000000-83f78892df345c3faf1f
Sample Comments 97% ee
Source of Spectrum QE-23-SM3-3a (DOI: 10.1002/chem.201605450)
Wiley ID 1903819