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Ethyl 4-cyclohexyl-3-(pyrimidin-2-ylamino)benzoate
SpectraBase Compound ID FZAsnw70rg8
InChI InChI=1S/C19H23N3O2/c1-2-24-18(23)15-9-10-16(14-7-4-3-5-8-14)17(13-15)22-19-20-11-6-12-21-19/h6,9-14H,2-5,7-8H2,1H3,(H,20,21,22)
InChIKey OBVCMSDKZALETJ-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C19H23N3O2
Exact Mass 325.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLlQh5ha8aD
Name Ethyl 4-cyclohexyl-3-(pyrimidin-2-ylamino)benzoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.179026991 u
Formula C19H23N3O2
InChI InChI=1S/C19H23N3O2/c1-2-24-18(23)15-9-10-16(14-7-4-3-5-8-14)17(13-15)22-19-20-11-6-12-21-19/h6,9-14H,2-5,7-8H2,1H3,(H,20,21,22)
InChIKey OBVCMSDKZALETJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510743
Molecular Weight 325.412 g/mol
Reported Formula C19H23N3O2
SMILES N(C=1N=CC=CN1)C=1C(=CC=C(C1)C(OCC)=O)C1CCCCC1
SPLASH splash10-0006-0092000000-0396bb3dca5b96681a2f
Source of Spectrum ACI-55-SM29-5ia (DOI: 10.1002/anie.201510743)
Wiley ID 1895378