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N-(2-Cyclododecyl-6-fluorophenyl)pyrimidin-2-amine
SpectraBase Compound ID JocDVBZz0jz
InChI InChI=1S/C22H30FN3/c23-20-15-10-14-19(21(20)26-22-24-16-11-17-25-22)18-12-8-6-4-2-1-3-5-7-9-13-18/h10-11,14-18H,1-9,12-13H2,(H,24,25,26)
InChIKey UUCDEIMETXTHIZ-UHFFFAOYSA-N
Mol Weight 355.5 g/mol
Molecular Formula C22H30FN3
Exact Mass 355.242376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yRt51EK28D
Name N-(2-Cyclododecyl-6-fluorophenyl)pyrimidin-2-amine
Appearance White solid
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Exact Mass 355.242376141 u
Formula C22H30FN3
InChI InChI=1S/C22H30FN3/c23-20-15-10-14-19(21(20)26-22-24-16-11-17-25-22)18-12-8-6-4-2-1-3-5-7-9-13-18/h10-11,14-18H,1-9,12-13H2,(H,24,25,26)
InChIKey UUCDEIMETXTHIZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510743
Molecular Weight 355.501 g/mol
Quality 150
Reported Formula C22H30FN3
SMILES N(C=1N=CC=CN1)C=1C(=CC=CC1F)C1CCCCCCCCCCC1
SPLASH splash10-0a4r-1798000000-c88fee0f69d56b9871f6
Source of Spectrum ACI-55-SM44-5bk (DOI: 10.1002/anie.201510743)
Wiley ID 1895368