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tert-Butyl 4-cyclohexyl-3-(pyrimidin-2-ylamino)benzoate
SpectraBase Compound ID HARGL81qkYj
InChI InChI=1S/C21H27N3O2/c1-21(2,3)26-19(25)16-10-11-17(15-8-5-4-6-9-15)18(14-16)24-20-22-12-7-13-23-20/h7,10-15H,4-6,8-9H2,1-3H3,(H,22,23,24)
InChIKey NHJKUGDBHDWSQM-UHFFFAOYSA-N
Mol Weight 353.47 g/mol
Molecular Formula C21H27N3O2
Exact Mass 353.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99G7YvfB1Dx
Name tert-Butyl 4-cyclohexyl-3-(pyrimidin-2-ylamino)benzoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.210327119 u
Formula C21H27N3O2
InChI InChI=1S/C21H27N3O2/c1-21(2,3)26-19(25)16-10-11-17(15-8-5-4-6-9-15)18(14-16)24-20-22-12-7-13-23-20/h7,10-15H,4-6,8-9H2,1-3H3,(H,22,23,24)
InChIKey NHJKUGDBHDWSQM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510743
Quality 4
Reported Formula C21H27N3O2
SMILES N(C=1N=CC=CN1)C=1C(=CC=C(C1)C(OC(C)(C)C)=O)C1CCCCC1
SPLASH splash10-0ufr-0090000000-bc80fa19dd66e25c7142
Source of Spectrum ACI-55-SM30-5ja (DOI: 10.1002/anie.201510743)
Wiley ID 1895379