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1-azido-2-tert-butyl-4-phenyl-benzene
SpectraBase Compound ID 3F2gOvIzPxF
InChI InChI=1S/C16H17N3/c1-16(2,3)14-11-13(9-10-15(14)18-19-17)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey CNTKAWMQXDHYSV-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C16H17N3
Exact Mass 251.142248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsaPeCaa4nJ
Name 1-azido-2-tert-butyl-4-phenyl-benzene
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.142247559 u
Formula C16H17N3
InChI InChI=1S/C16H17N3/c1-16(2,3)14-11-13(9-10-15(14)18-19-17)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey CNTKAWMQXDHYSV-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704260
Molecular Weight 251.333 g/mol
SMILES C1(=CC(=C(C=C1)N=[N+]=[N-])C(C)(C)C)C1=CC=CC=C1
SPLASH splash10-0a4i-0290000000-23ee559bbe80b8e182f5
Source of Spectrum ACI-56-SM32-11 (DOI: 10.1002/anie.201704260)
Thin-Layer Chromatography 0.77 (petroleum ether)
Wiley ID 1896287