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3-(tert-Butoxycarbonylamino)-6-chloro-2-phenylindole
SpectraBase Compound ID Ep21w2VPy76
InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)24-18(23)22-17-14-10-9-13(20)11-15(14)21-16(17)12-7-5-4-6-8-12/h4-11,21H,1-3H3,(H,22,23)
InChIKey FCYQIZKSBXVCNK-UHFFFAOYSA-N
Mol Weight 342.83 g/mol
Molecular Formula C19H19ClN2O2
Exact Mass 342.113506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WD0PGFZlAA
Name 3-(tert-Butoxycarbonylamino)-6-chloro-2-phenylindole
Appearance Colourless solid
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Exact Mass 342.113505558 u
Formula C19H19ClN2O2
InChI InChI=1S/C19H19ClN2O2/c1-19(2,3)24-18(23)22-17-14-10-9-13(20)11-15(14)21-16(17)12-7-5-4-6-8-12/h4-11,21H,1-3H3,(H,22,23)
InChIKey FCYQIZKSBXVCNK-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201702310
Molecular Weight 342.826 g/mol
Quality 165
Reported Formula C19H19ClN2O2
SMILES N(C(OC(C)(C)C)=O)C1=C(NC2=CC(=CC=C12)Cl)C1=CC=CC=C1
SPLASH splash10-052o-1092000000-f56f8f5735e99c979d2c
Source of Spectrum ACI-56-SM26-13 (DOI: 10.1002/anie.201702310)
Thin-Layer Chromatography 0.1 (cyclohexane/EtOAc, 7:3)
Wiley ID 1895906