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10-Methyl-3,5-dioxo-4-phenyl-2,4,6-triazatricyclo[5.2.1.0(2,6)]dec-8-ene-10-carboxylic acid, methyl ester

View entire compound with spectra: 2 MS (GC)

10-Methyl-3,5-dioxo-4-phenyl-2,4,6-triazatricyclo[5.2.1.0(2,6)]dec-8-ene-10-carboxylic acid, methyl ester
SpectraBase Compound ID 2zxbsWiAgUo
InChI InChI=1S/C16H15N3O4/c1-16(13(20)23-2)11-8-9-12(16)19-15(22)17(14(21)18(11)19)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t11-,12+,16+
InChIKey VXQDWKFSNHRJPU-ATCWAGBWSA-N
Mol Weight 313.31 g/mol
Molecular Formula C16H15N3O4
Exact Mass 313.106256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wY5QhuusS
Name 10-Methyl-3,5-dioxo-4-phenyl-2,4,6-triazatricyclo[5.2.1.0(2,6)]dec-8-ene-10-carboxylic acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O4
InChI InChI=1S/C16H15N3O4/c1-16(13(20)23-2)11-8-9-12(16)19-15(22)17(14(21)18(11)19)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t11-,12+,16+
InChIKey VXQDWKFSNHRJPU-ATCWAGBWSA-N
Molecular Weight 313.313 g/mol
SMILES C1(=O)N2N([C@@]3(C=C[C@]2([C@]3(C)C(=O)OC)[H])[H])C(N1c1ccccc1)=O
SPLASH splash10-004r-9611000000-c490f31a72033ac769fc
Wiley ID 1475672