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

*Links on SpectraBase are not permalinks.

1',3'-Dimethyl-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2'H,4H-spiro[benzofuran-2,5'-pyrimidine]-2',4,4',6'(1'H,3'H)-tetraone

View entire compound with spectra: 1 MS (GC)

1',3'-Dimethyl-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2'H,4H-spiro[benzofuran-2,5'-pyrimidine]-2',4,4',6'(1'H,3'H)-tetraone
SpectraBase Compound ID 5Cw1bga1jaD
InChI InChI=1S/C19H17N3O7/c1-20-16(24)19(17(25)21(2)18(20)26)15(10-6-8-11(9-7-10)22(27)28)14-12(23)4-3-5-13(14)29-19/h6-9,15H,3-5H2,1-2H3
InChIKey QLLHHBRMBPOADZ-UHFFFAOYSA-N
Mol Weight 399.36 g/mol
Molecular Formula C19H17N3O7
Exact Mass 399.10665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID HOuxdMYtmY5
Name 1',3'-Dimethyl-3-(4-nitrophenyl)-3,5,6,7-tetrahydro-2'H,4H-spiro[benzofuran-2,5'-pyrimidine]-2',4,4',6'(1'H,3'H)-tetraone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N3O7
InChI InChI=1S/C19H17N3O7/c1-20-16(24)19(17(25)21(2)18(20)26)15(10-6-8-11(9-7-10)22(27)28)14-12(23)4-3-5-13(14)29-19/h6-9,15H,3-5H2,1-2H3
InChIKey QLLHHBRMBPOADZ-UHFFFAOYSA-N
Instrument Name Finningan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4274
Molecular Weight 399.359 g/mol
SMILES C1C(C2=C(CC1)OC1(C2c2ccc(cc2)[N+]([O-])=O)C(N(C(N(C1=O)C)=O)C)=O)=O
SPLASH splash10-000t-2359000000-9fab1164bd1565eeb241
Source of Spectrum Y-58-1492-3f
Wiley ID 1879401