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6-Methyl-2,4-bis(4-ethoxycarbonyl-3-phenylamino-5-oxo-2,5-dihydroisoxazolin-2-yl)pyrimidine
SpectraBase Compound ID 80hWbJY2xRN
InChI InChI=1S/C29H26N6O8/c1-4-40-25(36)21-23(31-18-12-8-6-9-13-18)34(42-27(21)38)20-16-17(3)30-29(33-20)35-24(32-19-14-10-7-11-15-19)22(28(39)43-35)26(37)41-5-2/h6-16,31-32H,4-5H2,1-3H3
InChIKey JRAMXQJCWLTEFR-UHFFFAOYSA-N
Mol Weight 586.56 g/mol
Molecular Formula C29H26N6O8
Exact Mass 586.181212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Z66gf1Xg0l
Name 6-Methyl-2,4-bis(4-ethoxycarbonyl-3-phenylamino-5-oxo-2,5-dihydroisoxazolin-2-yl)pyrimidine
Appearance Cream solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26N6O8
InChI InChI=1S/C29H26N6O8/c1-4-40-25(36)21-23(31-18-12-8-6-9-13-18)34(42-27(21)38)20-16-17(3)30-29(33-20)35-24(32-19-14-10-7-11-15-19)22(28(39)43-35)26(37)41-5-2/h6-16,31-32H,4-5H2,1-3H3
InChIKey JRAMXQJCWLTEFR-UHFFFAOYSA-N
Instrument Name Varian Matt 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.c03
Molecular Weight 586.561 g/mol
SMILES N(C1=C(C(ON1c1cc(nc(N2C(=C(C(O2)=O)C(OCC)=O)Nc2ccccc2)n1)C)=O)C(OCC)=O)c1ccccc1
SPLASH splash10-004l-8970320000-c9cb7a2a4a5a6d7b1b64
Source of Spectrum ARK-2009-25-8
Wiley ID 1869763