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(S)-1-Benzyl-2-[1-(4-methoxyphenyl)ethyl]-1H-indole
SpectraBase Compound ID CKyq9w6OQnF
InChI InChI=1S/C24H23NO/c1-18(20-12-14-22(26-2)15-13-20)24-16-21-10-6-7-11-23(21)25(24)17-19-8-4-3-5-9-19/h3-16,18H,17H2,1-2H3/t18-/m0/s1
InChIKey HFCOCDOHHMHWOG-SFHVURJKSA-N
Mol Weight 341.45 g/mol
Molecular Formula C24H23NO
Exact Mass 341.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUvzRIrccub
Name (S)-1-Benzyl-2-[1-(4-methoxyphenyl)ethyl]-1H-indole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.177964364 u
Formula C24H23NO
InChI InChI=1S/C24H23NO/c1-18(20-12-14-22(26-2)15-13-20)24-16-21-10-6-7-11-23(21)25(24)17-19-8-4-3-5-9-19/h3-16,18H,17H2,1-2H3/t18-/m0/s1
InChIKey HFCOCDOHHMHWOG-SFHVURJKSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709075
Molecular Weight 341.454 g/mol
Optical Rotation [a]D23 = +58.3 (c = 0.62, CHCl3)
Quality 107
Reported Formula C24H24NO
SMILES C1=CC=CC2=C1C=C(N2CC1=CC=CC=C1)[C@@](C)(C=1C=CC(=CC1)OC)[H]
SPLASH splash10-002f-2009000000-ce70c79c5de8413a241b
Sample Comments er = 88:12
Source of Spectrum ACI-56-SM113-7 (DOI: 10.1002/anie.201709075)
Wiley ID 1896501