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(-)-Ethyl 2-[(3S)-4-benzyl-3-(cyanomethyl)piperazin-1-yl]acetate
SpectraBase Compound ID 3NL9yYZL3iU
InChI InChI=1S/C17H23N3O2/c1-2-22-17(21)14-19-10-11-20(16(13-19)8-9-18)12-15-6-4-3-5-7-15/h3-7,16H,2,8,10-14H2,1H3/t16-/m0/s1
InChIKey RKDVNGRCZITHNQ-INIZCTEOSA-N
Mol Weight 301.39 g/mol
Molecular Formula C17H23N3O2
Exact Mass 301.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3v1KUxqtHs
Name (-)-Ethyl 2-[(3S)-4-benzyl-3-(cyanomethyl)piperazin-1-yl]acetate
Alternate Name(s) (S)-ethyl 2-(4-benzyl-3-(cyanomethyl)piperazin-1-yl)acetate 2-[(3S)-3-(cyanomethyl)-4-(phenylmethyl)-1-piperazinyl]acetic acid ethyl ester Ethyl 2-[(3S)-4-benzyl-3-(cyanomethyl)piperazin-1-yl]acetate Ethyl 2-[(3S)-3-(cyanomethyl)-4-(phenylmethyl)piperazin-1-yl]ethanoate
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Formula C17H23N3O2
InChI InChI=1S/C17H23N3O2/c1-2-22-17(21)14-19-10-11-20(16(13-19)8-9-18)12-15-6-4-3-5-7-15/h3-7,16H,2,8,10-14H2,1H3/t16-/m0/s1
InChIKey RKDVNGRCZITHNQ-INIZCTEOSA-N
Molecular Weight 301.390 g/mol
SMILES [C@@]1(N(CCN(C1)CC(=O)OCC)Cc1ccccc1)(CC#N)[H]
SPLASH splash10-01xx-8791000000-47c2a9233f1f5a43431c
Source of Spectrum EMC-41-391-8a
Wiley ID 1735006