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trans-rel-(3S,5S)-2-(Allyloxycarbonyl)-1-benzyl-5-(chloromethyl)-3-pyrazolidinecarboxylic acid methyl ester
SpectraBase Compound ID E20dffJiOgd
InChI InChI=1S/C17H21ClN2O4/c1-3-9-24-17(22)20-15(16(21)23-2)10-14(11-18)19(20)12-13-7-5-4-6-8-13/h3-8,14-15H,1,9-12H2,2H3/t14-,15-/m0/s1
InChIKey FZDKMCFRRHQKPK-GJZGRUSLSA-N
Mol Weight 352.82 g/mol
Molecular Formula C17H21ClN2O4
Exact Mass 352.118985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FyX2gdYX17I
Name trans-rel-(3S,5S)-2-(Allyloxycarbonyl)-1-benzyl-5-(chloromethyl)-3-pyrazolidinecarboxylic acid methyl ester
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Formula C17H21ClN2O4
InChI InChI=1S/C17H21ClN2O4/c1-3-9-24-17(22)20-15(16(21)23-2)10-14(11-18)19(20)12-13-7-5-4-6-8-13/h3-8,14-15H,1,9-12H2,2H3/t14-,15-/m0/s1
InChIKey FZDKMCFRRHQKPK-GJZGRUSLSA-N
Molecular Weight 352.818 g/mol
SMILES [C@]1(N(N([C@@](C1)(C(=O)OC)[H])C(=O)OCC=C)Cc1ccccc1)(CCl)[H]
SPLASH splash10-0uxu-6069000000-20ac8af703e381d5a40b
Source of Spectrum F-49-8619-35
Synonyms 1-Allyl 5-methyl (3S,5S)-2-benzyl-3-(chloromethyl)-1,5-pyrazolidinedicarboxylate
Wiley ID 788309