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Methyl 9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-1-carboxylate
SpectraBase Compound ID bsEPfsRJ3o
InChI InChI=1S/C13H14N2O3/c1-18-13(17)10-6-7-11-14-9-5-3-2-4-8(9)12(16)15(10)11/h2-5,10-11,14H,6-7H2,1H3/t10-,11+/m0/s1
InChIKey YKQBJBRDASFHRZ-WDEREUQCSA-N
Mol Weight 246.27 g/mol
Molecular Formula C13H14N2O3
Exact Mass 246.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hZrGoCNK6a
Name Methyl 9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-1-carboxylate
Alternate Name(s) (1S,3aR)-9-Oxo-1,2,3,3a,4,9-hexahydro-pyrrolo[2,1-b]quinazoline-1-carboxylic acid methyl ester (1S,3aR)-9-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid methyl ester methyl (1S,3aR)-9-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate methyl (1S,3aR)-9-oxidanylidene-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H14N2O3
InChI InChI=1S/C13H14N2O3/c1-18-13(17)10-6-7-11-14-9-5-3-2-4-8(9)12(16)15(10)11/h2-5,10-11,14H,6-7H2,1H3/t10-,11+/m0/s1
InChIKey YKQBJBRDASFHRZ-WDEREUQCSA-N
Molecular Weight 246.266 g/mol
SMILES N1c2ccccc2C(N2[C@@]1(CC[C@]2(C(=O)OC)[H])[H])=O
SPLASH splash10-000i-0930000000-5b3099c86a84185b6e14
Source of Spectrum H1-51-1269-28
Wiley ID 817113