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(2R,5R)-1-Benzoyl-2-tert-butyl-3-methyl-5-[1'(R)-hydroxyethyl]-6-methylenedihydropyrimidin-4-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(2R,5R)-1-Benzoyl-2-tert-butyl-3-methyl-5-[1'(R)-hydroxyethyl]-6-methylenedihydropyrimidin-4-one
SpectraBase Compound ID FYshrLWU7ub
InChI InChI=1S/C19H26N2O3/c1-12-15(13(2)22)17(24)20(6)18(19(3,4)5)21(12)16(23)14-10-8-7-9-11-14/h7-11,13,15,18,22H,1H2,2-6H3/t13-,15-,18-/m1/s1
InChIKey VSTARQAKBAPUKQ-DDUZABMNSA-N
Mol Weight 330.43 g/mol
Molecular Formula C19H26N2O3
Exact Mass 330.194343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4oUPsFfLrq0
Name (2R,5R)-1-Benzoyl-2-tert-butyl-3-methyl-5-[1'(R)-hydroxyethyl]-6-methylenedihydropyrimidin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.194342702 u
Formula C19H26N2O3
InChI InChI=1S/C19H26N2O3/c1-12-15(13(2)22)17(24)20(6)18(19(3,4)5)21(12)16(23)14-10-8-7-9-11-14/h7-11,13,15,18,22H,1H2,2-6H3/t13-,15-,18-/m1/s1
InChIKey VSTARQAKBAPUKQ-DDUZABMNSA-N
Molecular Weight 330.428 g/mol
SMILES [C@]1(N(C([C@@](C(N1C)=O)([C@](O)(C)[H])[H])=C)C(=O)C1=CC=CC=C1)(C(C)(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817638