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2-(3-Benzyl-2,5,6-trioxopiperazin-1-yl)propionic acid ethyl ester
SpectraBase Compound ID 2PF6BTtPyJX
InChI InChI=1S/C16H18N2O5/c1-3-23-16(22)10(2)18-14(20)12(17-13(19)15(18)21)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,17,19)
InChIKey MQYZUAAZANRXDP-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UJ71PvnPjx
Name 2-(3-Benzyl-2,5,6-trioxopiperazin-1-yl)propionic acid ethyl ester
Alternate Name(s) Ethyl 2-(3-benzyl-2,5,6-trioxo-1-piperazinyl)propanoate
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Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-3-23-16(22)10(2)18-14(20)12(17-13(19)15(18)21)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,17,19)
InChIKey MQYZUAAZANRXDP-UHFFFAOYSA-N
Molecular Weight 318.329 g/mol
SMILES N1C(C(N(C(C1Cc1ccccc1)=O)C(C(=O)OCC)C)=O)=O
SPLASH splash10-0006-9210000000-4370293f62ac03ff1ff3
Source of Spectrum K-2001-3250-21
Wiley ID 1580157