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Ethyl 2-methyl-10-nitro-4,7-dioxo-4,6,7,11b-tetrahydro-3H-pyrimido[4,3-a]isoquinolin e-1-carboxylate
SpectraBase Compound ID AnIXD1x1cmS
InChI InChI=1S/C16H15N3O6/c1-3-25-15(21)13-8(2)17-16(22)18-7-12(20)10-5-4-9(19(23)24)6-11(10)14(13)18/h4-6,14H,3,7H2,1-2H3,(H,17,22)
InChIKey OOPNUENVCGGFNN-UHFFFAOYSA-N
Mol Weight 345.31 g/mol
Molecular Formula C16H15N3O6
Exact Mass 345.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ZffToKuFWd
Name Ethyl 2-methyl-10-nitro-4,7-dioxo-4,6,7,11b-tetrahydro-3H-pyrimido[4,3-a]isoquinolin e-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O6
InChI InChI=1S/C16H15N3O6/c1-3-25-15(21)13-8(2)17-16(22)18-7-12(20)10-5-4-9(19(23)24)6-11(10)14(13)18/h4-6,14H,3,7H2,1-2H3,(H,17,22)
InChIKey OOPNUENVCGGFNN-UHFFFAOYSA-N
Molecular Weight 345.311 g/mol
SMILES N1C(=C(C2N(C1=O)CC(c1c2cc(cc1)N(=O)=O)=O)C(=O)OCC)C
SPLASH splash10-0fe1-2905000000-ec18405cbf7e6563b988
Source of Spectrum Y-48-1403-4i
Synonyms 2-Methyl-10-nitro-4,7-dioxo-6,11b-dihydro-3H-pyrimido[6,1-a]isoquinoline-1-carboxylic acid ethyl ester Ethyl 2-methyl-10-nitro-4,7-dioxo-6,11b-dihydro-3H-pyrimido[6,1-a]isoquinoline-1-carboxylate Ethyl 2-methyl-10-nitro-4,7-bis(oxidanylidene)-6,11b-dihydro-3H-pyrimido[6,1-a]isoquinoline-1-carboxylate
Wiley ID 1704464