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Ethyl 3-formyl-7-(3-methoxyphenyl)-5-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID LDuMxYCfWlT
InChI InChI=1S/C21H22N4O4/c1-3-29-21(27)17-18(14-7-6-8-16(11-14)28-2)25-19(15(13-26)12-22-25)23-20(17)24-9-4-5-10-24/h6-8,11-13H,3-5,9-10H2,1-2H3
InChIKey RVMWYRCCZFLZQT-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C21H22N4O4
Exact Mass 394.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DEOU9Qp88I
Name Ethyl 3-formyl-7-(3-methoxyphenyl)-5-(pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.164105200 u
Formula C21H22N4O4
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C21H22N4O4/c1-3-29-21(27)17-18(14-7-6-8-16(11-14)28-2)25-19(15(13-26)12-22-25)23-20(17)24-9-4-5-10-24/h6-8,11-13H,3-5,9-10H2,1-2H3
InChIKey RVMWYRCCZFLZQT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Molecular Weight 394.431 g/mol
Reported Formula C21H22N4O4
SMILES C(C)OC(=O)C=1C(=NC=2N(C1C1=CC(=CC=C1)OC)N=CC2C=O)N1CCCC1
SPLASH splash10-014l-0029000000-d2e1041dd16f7de29fea
Source of Spectrum QE-28-SM47-32 (DOI: 10.1002/chem.202200733)
Wiley ID 1900441