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4-azido-3-tert-butyl-benzonitrile
SpectraBase Compound ID KptjmF8YzOc
InChI InChI=1S/C11H12N4/c1-11(2,3)9-6-8(7-12)4-5-10(9)14-15-13/h4-6H,1-3H3
InChIKey VYOFQOYSOHPXHZ-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C11H12N4
Exact Mass 200.106196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84xJEoUTTd5
Name 4-azido-3-tert-butyl-benzonitrile
Appearance Dark yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.106196402 u
Formula C11H12N4
InChI InChI=1S/C11H12N4/c1-11(2,3)9-6-8(7-12)4-5-10(9)14-15-13/h4-6H,1-3H3
InChIKey VYOFQOYSOHPXHZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704260
Molecular Weight 200.245 g/mol
Quality 38
Reported Formula C11H12N4
SMILES C1(=CC(=C(C=C1)N=[N+]=[N-])C(C)(C)C)C#N
SPLASH splash10-0a4i-0910000000-d3fe6216f99ed80b44c0
Source of Spectrum ACI-56-SM32-13 (DOI: 10.1002/anie.201704260)
Thin-Layer Chromatography 0.76 (petroleum ether/ethyl acetate, 6:1)
Wiley ID 1896288