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rel-(3S,5S)-2-(Alloxycarbonyl)-1-benzyl-4-(1-chloromethylethyl)-3-pyrazolidinecarboxylic acid methyl ester
SpectraBase Compound ID 40JptZ99jsA
InChI InChI=1S/C19H25ClN2O4/c1-5-11-26-18(24)22-16(17(23)25-4)15(19(2,3)20)13-21(22)12-14-9-7-6-8-10-14/h5-10,15-16H,1,11-13H2,2-4H3/t15-,16-/m0/s1
InChIKey KYHPBHFCSNFHFK-HOTGVXAUSA-N
Mol Weight 380.87 g/mol
Molecular Formula C19H25ClN2O4
Exact Mass 380.150285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YzCbMS3AE4
Name rel-(3S,5S)-2-(Alloxycarbonyl)-1-benzyl-4-(1-chloromethylethyl)-3-pyrazolidinecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25ClN2O4
InChI InChI=1S/C19H25ClN2O4/c1-5-11-26-18(24)22-16(17(23)25-4)15(19(2,3)20)13-21(22)12-14-9-7-6-8-10-14/h5-10,15-16H,1,11-13H2,2-4H3/t15-,16-/m0/s1
InChIKey KYHPBHFCSNFHFK-HOTGVXAUSA-N
Molecular Weight 380.872 g/mol
SMILES [C@]1(N(N(Cc2ccccc2)C[C@@]1(C(Cl)(C)C)[H])C(=O)OCC=C)(C(=O)OC)[H]
SPLASH splash10-000y-6059000000-9af7a3114a22bd71678f
Source of Spectrum F-49-8620-39
Synonyms 1-Allyl 5-methyl (4S,5S)-2-benzyl-4-(1-chloro-1-methylethyl)-1,5-pyrazolidinedicarboxylate
Wiley ID 788304