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Paprazine, 2ac derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

Paprazine, 2ac derivative
SpectraBase Compound ID IqIah8cWpk6
InChI InChI=1S/C21H21NO5/c1-15(23)26-19-8-3-17(4-9-19)7-12-21(25)22-14-13-18-5-10-20(11-6-18)27-16(2)24/h3-12H,13-14H2,1-2H3,(H,22,25)/b12-7+
InChIKey KSUFYXBXUWEHQP-KPKJPENVSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1VEFgRudqfZ
Name Paprazine, 2ac derivative
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 367.141972775 u
Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-15(23)26-19-8-3-17(4-9-19)7-12-21(25)22-14-13-18-5-10-20(11-6-18)27-16(2)24/h3-12H,13-14H2,1-2H3,(H,22,25)/b12-7+
InChIKey KSUFYXBXUWEHQP-KPKJPENVSA-N
Molecular Weight 367.401 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC(=O)C)(=O)NCCC1=CC=C(C=C1)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926729