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#1;KRP-103;2-(4-ACETYLPIPERADIN-1-YL)-6-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-4-(2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO-[4,5-B]-[1,5]-OXAZOCIN-5-ONE

View entire compound with spectra: 1 NMR

#1;KRP-103;2-(4-ACETYLPIPERADIN-1-YL)-6-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-4-(2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO-[4,5-B]-[1,5]-OXAZOCIN-5-ONE
SpectraBase Compound ID GadQYBLS56A
InChI InChI=1S/C30H29F6N5O3/c1-18-6-3-4-7-23(18)25-24-26(38-28(37-25)40-11-9-39(10-12-40)19(2)42)44-13-5-8-41(27(24)43)17-20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h3-4,6-7,14-16H,5,8-13,17H2,1-2H3
InChIKey NCPKXVSLLSEPDP-UHFFFAOYSA-N
Mol Weight 621.58 g/mol
Molecular Formula C30H29F6N5O3
Exact Mass 621.217459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHFBo1z9ayo
Name #1;KRP-103;2-(4-ACETYLPIPERADIN-1-YL)-6-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLMETHYL]-4-(2-METHYLPHENYL)-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO-[4,5-B]-[1,5]-OXAZOCIN-5-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H29F6N5O3
InChI InChI=1S/C30H29F6N5O3/c1-18-6-3-4-7-23(18)25-24-26(38-28(37-25)40-11-9-39(10-12-40)19(2)42)44-13-5-8-41(27(24)43)17-20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h3-4,6-7,14-16H,5,8-13,17H2,1-2H3
InChIKey NCPKXVSLLSEPDP-UHFFFAOYSA-N
Literature Reference Author I.ARAYA,S.KANAZAWA,H.AKITA
Literature Reference Citation CHEM.PHARM.BULL.,56,176(2008)
Literature Reference DOI 10.1248/cpb.56.176
Molecular Weight 621.582 g/mol
Sample ID 1263
Solvent CDCl3