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tert-butyl 1-(2-azidophenyl)cyclohexanecarboxylate
SpectraBase Compound ID Fu7Y4zgIeAk
InChI InChI=1S/C17H23N3O2/c1-16(2,3)22-15(21)17(11-7-4-8-12-17)13-9-5-6-10-14(13)19-20-18/h5-6,9-10H,4,7-8,11-12H2,1-3H3
InChIKey NYTMBFXDHYBJIF-UHFFFAOYSA-N
Mol Weight 301.39 g/mol
Molecular Formula C17H23N3O2
Exact Mass 301.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArbeKjdmPqt
Name tert-butyl 1-(2-azidophenyl)cyclohexanecarboxylate
Appearance Pale yellow oil
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Exact Mass 301.179026991 u
Formula C17H23N3O2
InChI InChI=1S/C17H23N3O2/c1-16(2,3)22-15(21)17(11-7-4-8-12-17)13-9-5-6-10-14(13)19-20-18/h5-6,9-10H,4,7-8,11-12H2,1-3H3
InChIKey NYTMBFXDHYBJIF-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704260
Molecular Weight 301.390 g/mol
Quality 148
Reported Formula C17H23N3O2
SMILES C1=CC(=C(C=C1)N=[N+]=[N-])C1(CCCCC1)C(=O)OC(C)(C)C
SPLASH splash10-05fr-4910000000-fc40664db285bafa46bf
Source of Spectrum ACI-56-SM37-31 (DOI: 10.1002/anie.201704260)
Thin-Layer Chromatography 0.66 (petroleum ether/ethyl acetate, 10:1)
Wiley ID 1896299