Debug Info

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JaN5etcZXKD
spectrumID
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JaN5etcZXKD
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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2-Methoxy-1-(6-(2-methoxy-2-oxoethyl)-2-phenyl-5-p-tolylpyrimidin-4-yl)-2-oxoethyl 4-Methylbenzoate
SpectraBase Compound ID 5EvD3hgRHoV
InChI InChI=1S/C31H28N2O6/c1-19-10-14-21(15-11-19)26-24(18-25(34)37-3)32-29(22-8-6-5-7-9-22)33-27(26)28(31(36)38-4)39-30(35)23-16-12-20(2)13-17-23/h5-17,28H,18H2,1-4H3
InChIKey MIOPKKZLERHUBG-UHFFFAOYSA-N
Mol Weight 524.57 g/mol
Molecular Formula C31H28N2O6
Exact Mass 524.194737 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaN5etcZXKD
Name 2-Methoxy-1-(6-(2-methoxy-2-oxoethyl)-2-phenyl-5-p-tolylpyrimidin-4-yl)-2-oxoethyl 4-Methylbenzoate
Appearance Pale yellowish amorphous solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.194736624 u
Formula C31H28N2O6
InChI InChI=1S/C31H28N2O6/c1-19-10-14-21(15-11-19)26-24(18-25(34)37-3)32-29(22-8-6-5-7-9-22)33-27(26)28(31(36)38-4)39-30(35)23-16-12-20(2)13-17-23/h5-17,28H,18H2,1-4H3
InChIKey MIOPKKZLERHUBG-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/jo400090w
Molecular Weight 524.573 g/mol
Quality 76
SMILES C1(=C(C(=NC(=N1)C1=CC=CC=C1)C(OC(C1=CC=C(C=C1)C)=O)C(=O)OC)C1=CC=C(C=C1)C)CC(OC)=O
SPLASH splash10-066r-2900510000-37a67fb10e1d84e7eb51
Source of Spectrum JOC-78-3461-5da (DOI: 10.1021/jo400090w)
Wiley ID 1912492
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