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1-azido-2-tert-butyl-4-methyl-benzene
SpectraBase Compound ID 8DmvecnoYS7
InChI InChI=1S/C11H15N3/c1-8-5-6-10(13-14-12)9(7-8)11(2,3)4/h5-7H,1-4H3
InChIKey LLXRURKDFZGRQK-UHFFFAOYSA-N
Mol Weight 189.26 g/mol
Molecular Formula C11H15N3
Exact Mass 189.126597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9kzyCY3VNh
Name 1-azido-2-tert-butyl-4-methyl-benzene
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15N3
InChI InChI=1S/C11H15N3/c1-8-5-6-10(13-14-12)9(7-8)11(2,3)4/h5-7H,1-4H3
InChIKey LLXRURKDFZGRQK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704260
Molecular Weight 189.262 g/mol
Quality 149
Reported Formula C11H15N3
SMILES C1(=CC(=C(C=C1)N=[N+]=[N-])C(C)(C)C)C
SPLASH splash10-0002-0900000000-6c7addfb9b66745e799e
Source of Spectrum ACI-56-SM31-9 (DOI: 10.1002/anie.201704260)
Thin-Layer Chromatography 0.55 (petroleum ether)
Wiley ID 1896315