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trans-rel-(3S,5S)-2-(Alloxycarbonyl)-1-benzyl-5-(chloromethyl)-5-methyl-3-pyrazolidinecarboxylic acid methyl ester
SpectraBase Compound ID LQppXmxbQP1
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-YJBOKZPZSA-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 Dy1AJIDLg0g
Name trans-rel-(3S,5S)-2-(Alloxycarbonyl)-1-benzyl-5-(chloromethyl)-5-methyl-3-pyrazolidinecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-YJBOKZPZSA-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 splash10-00l6-7039000000-44a36071bfcecde37972
Source of Spectrum F-49-8619-36
Synonyms 1-Allyl 5-methyl (3S,5S)-2-benzyl-3-(chloromethyl)-3-methyl-1,5-pyrazolidinedicarboxylate
Wiley ID 788307