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(-)-Ethyl 2-[(3R)-4-benzyl-3-(chloromethyl)piperazin-1-yl]acetate
SpectraBase Compound ID BewRhEau03g
InChI InChI=1S/C16H23ClN2O2/c1-2-21-16(20)13-18-8-9-19(15(10-17)12-18)11-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3/t15-/m0/s1
InChIKey KMTNFKGLLAKXMK-HNNXBMFYSA-N
Mol Weight 310.83 g/mol
Molecular Formula C16H23ClN2O2
Exact Mass 310.144806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DtW5rwWJwj
Name (-)-Ethyl 2-[(3R)-4-benzyl-3-(chloromethyl)piperazin-1-yl]acetate
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Formula C16H23ClN2O2
InChI InChI=1S/C16H23ClN2O2/c1-2-21-16(20)13-18-8-9-19(15(10-17)12-18)11-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3/t15-/m0/s1
InChIKey KMTNFKGLLAKXMK-HNNXBMFYSA-N
Molecular Weight 310.825 g/mol
SMILES [C@@]1(N(CCN(C1)CC(=O)OCC)Cc1ccccc1)(CCl)[H]
SPLASH splash10-0006-9020000000-2fa4b73af2a406292e08
Source of Spectrum EMC-41-391-7
Synonyms (R)-ethyl 2-(4-benzyl-3-(chloromethyl)piperazin-1-yl)acetate 2-[(3R)-3-(chloromethyl)-4-(phenylmethyl)-1-piperazinyl]acetic acid ethyl ester Ethyl 2-[(3R)-4-benzyl-3-(chloromethyl)piperazin-1-yl]acetate Ethyl 2-[(3R)-3-(chloromethyl)-4-(phenylmethyl)piperazin-1-yl]ethanoate
Wiley ID 1735007