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(S)-tert-Butyl {2-[1-Benzyl-2-(1-(4-methoxyphenyl)ethyl)-1H-indol-3-yl]ethyl}carbamate
SpectraBase Compound ID HahEOY1ddFb
InChI InChI=1S/C31H36N2O3/c1-22(24-15-17-25(35-5)18-16-24)29-27(19-20-32-30(34)36-31(2,3)4)26-13-9-10-14-28(26)33(29)21-23-11-7-6-8-12-23/h6-18,22H,19-21H2,1-5H3,(H,32,34)/t22-/m0/s1
InChIKey IVBKPUFPXPXWTG-QFIPXVFZSA-N
Mol Weight 484.6 g/mol
Molecular Formula C31H36N2O3
Exact Mass 484.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWq611tvi0a
Name (S)-tert-Butyl {2-[1-Benzyl-2-(1-(4-methoxyphenyl)ethyl)-1H-indol-3-yl]ethyl}carbamate
Appearance Colorless solid
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Exact Mass 484.272593024 u
Formula C31H36N2O3
InChI InChI=1S/C31H36N2O3/c1-22(24-15-17-25(35-5)18-16-24)29-27(19-20-32-30(34)36-31(2,3)4)26-13-9-10-14-28(26)33(29)21-23-11-7-6-8-12-23/h6-18,22H,19-21H2,1-5H3,(H,32,34)/t22-/m0/s1
InChIKey IVBKPUFPXPXWTG-QFIPXVFZSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201709075
Molecular Weight 484.640 g/mol
Optical Rotation [a]D23 = -53.5 (c = 0.23, CHCl3)
Quality 22
Reported Formula C31H36N2O3
SMILES N(CCC1=C(N(C2=C1C=CC=C2)CC1=CC=CC=C1)[C@@](C)(C=1C=CC(=CC1)OC)[H])C(OC(C)(C)C)=O
SPLASH splash10-0udl-8019000000-df7a52c67c8e10b487c8
Sample Comments er = 12:88
Source of Spectrum ACI-56-SM126-S-6 (DOI: 10.1002/anie.201709075)
Wiley ID 1896505