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3-(tert-Butoxycarbonylamino)-2-(4-methoxyphenyl)-7-azaindole
SpectraBase Compound ID D8nUdjLYbFA
InChI InChI=1S/C19H21N3O3/c1-19(2,3)25-18(23)22-16-14-6-5-11-20-17(14)21-15(16)12-7-9-13(24-4)10-8-12/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKey QBYBAOHVSRRFBC-UHFFFAOYSA-N
Mol Weight 339.4 g/mol
Molecular Formula C19H21N3O3
Exact Mass 339.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjaTdXCGFUu
Name 3-(tert-Butoxycarbonylamino)-2-(4-methoxyphenyl)-7-azaindole
Appearance Colorless solid
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Exact Mass 339.158291545 u
Formula C19H21N3O3
InChI InChI=1S/C19H21N3O3/c1-19(2,3)25-18(23)22-16-14-6-5-11-20-17(14)21-15(16)12-7-9-13(24-4)10-8-12/h5-11H,1-4H3,(H,20,21)(H,22,23)
InChIKey QBYBAOHVSRRFBC-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201702310
Molecular Weight 339.395 g/mol
Quality 157
Reported Formula C19H21O3N3
SMILES N(C(OC(C)(C)C)=O)C1=C(NC=2N=CC=CC12)C1=CC=C(C=C1)OC
SPLASH splash10-001r-0091000000-6f644e9bf9c839282c14
Source of Spectrum ACI-56-SM28-17 (DOI: 10.1002/anie.201702310)
Wiley ID 1895911