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(3S,5R)-2-(Alloxycarbonyl)-1-benzyl-5-(chloromethyl)-5-methyl-3-pyrazolidinecarboxylic acid methyl ester
SpectraBase Compound ID DV8IyTUhOoH
InChI InChI=1S/C18H23ClN2O4/c1-4-10-25-17(23)21-15(16(22)24-3)11-18(2,13-19)20(21)12-14-8-6-5-7-9-14/h4-9,15H,1,10-13H2,2-3H3/t15-,18+/m0/s1
InChIKey UJOQCXRGIYWGIM-MAUKXSAKSA-N
Mol Weight 366.85 g/mol
Molecular Formula C18H23ClN2O4
Exact Mass 366.134635 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DwGMbCYCJm
Name (3S,5R)-2-(Alloxycarbonyl)-1-benzyl-5-(chloromethyl)-5-methyl-3-pyrazolidinecarboxylic acid methyl ester
Alternate Name(s) 1-Allyl 5-methyl (3R,5S)-2-benzyl-3-(chloromethyl)-3-methyl-1,5-pyrazolidinedicarboxylate cis-2-(Alloxycarbonyl)-1-benzyl-5-(chloromethyl)-5-methyl-3-pyrazolidinecarboxylic acid methyl ester
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Formula C18H23ClN2O4
InChI InChI=1S/C18H23ClN2O4/c1-4-10-25-17(23)21-15(16(22)24-3)11-18(2,13-19)20(21)12-14-8-6-5-7-9-14/h4-9,15H,1,10-13H2,2-3H3/t15-,18+/m0/s1
InChIKey UJOQCXRGIYWGIM-MAUKXSAKSA-N
Molecular Weight 366.845 g/mol
SMILES [C@@]1(N(N([C@@](C1)(C(=O)OC)[H])C(=O)OCC=C)Cc1ccccc1)(CCl)C
SPLASH splash10-00lu-8098000000-95931f766d799d856c13
Source of Spectrum F-49-8619-36
Wiley ID 788306