For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-(4'-Nitrophenyl)-4-(2""""-tetrahydropyrimidinyl)-5-(4""""'-methylphenyl)isoxazole

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

3-(4'-Nitrophenyl)-4-(2""""-tetrahydropyrimidinyl)-5-(4""""'-methylphenyl)isoxazole
SpectraBase Compound ID BFq4eeuAcuR
InChI InChI=1S/C20H18N4O3/c1-13-3-5-15(6-4-13)19-17(20-21-11-2-12-22-20)18(23-27-19)14-7-9-16(10-8-14)24(25)26/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKey MHTBLTLYWDUFOM-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C20H18N4O3
Exact Mass 362.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 59XKvekT3XG
Name 3-(4'-Nitrophenyl)-4-(2""""-tetrahydropyrimidinyl)-5-(4""""'-methylphenyl)isoxazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.137890453 u
Formula C20H18N4O3
InChI InChI=1S/C20H18N4O3/c1-13-3-5-15(6-4-13)19-17(20-21-11-2-12-22-20)18(23-27-19)14-7-9-16(10-8-14)24(25)26/h3-10H,2,11-12H2,1H3,(H,21,22)
InChIKey MHTBLTLYWDUFOM-UHFFFAOYSA-N
Molecular Weight 362.389 g/mol
SMILES C1(=C(ON=C1C1=CC=C(N(=O)=O)C=C1)C1=CC=C(C=C1)C)C1=NCCCN1