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2-[(3S)-3-benzyl-5-ethyl-2,6-diketo-piperazino]acetic acid ethyl ester
SpectraBase Compound ID fRZ8lcE5Fr
InChI InChI=1S/C17H22N2O4/c1-3-13-16(21)19(11-15(20)23-4-2)17(22)14(18-13)10-12-8-6-5-7-9-12/h5-9,13-14,18H,3-4,10-11H2,1-2H3/t13?,14-/m0/s1
InChIKey VMLMOQJMBQOUJJ-KZUDCZAMSA-N
Mol Weight 318.37 g/mol
Molecular Formula C17H22N2O4
Exact Mass 318.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2iMrIXNhsFu
Name 2-[(3S)-3-benzyl-5-ethyl-2,6-diketo-piperazino]acetic acid ethyl ester
Alternate Name(s) 2-[(5S)-3-ethyl-2,6-dioxo-5-(phenylmethyl)-1-piperazinyl]acetic acid ethyl ester Ethyl 2-[(3S)-3-benzyl-5-ethyl-2,6-dioxo-piperazin-1-yl]acetate Ethyl 2-[(5S)-3-ethyl-2,6-bis(oxidanylidene)-5-(phenylmethyl)piperazin-1-yl]ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4
InChI InChI=1S/C17H22N2O4/c1-3-13-16(21)19(11-15(20)23-4-2)17(22)14(18-13)10-12-8-6-5-7-9-12/h5-9,13-14,18H,3-4,10-11H2,1-2H3/t13?,14-/m0/s1
InChIKey VMLMOQJMBQOUJJ-KZUDCZAMSA-N
Molecular Weight 318.373 g/mol
SMILES N1[C@](C(N(C(C1CC)=O)CC(=O)OCC)=O)(Cc1ccccc1)[H]
SPLASH splash10-004i-0490000000-23eef8d2f55c6eeecc98
Source of Spectrum H1-47-973-18
Wiley ID 816171