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Ethyl 4,5-trans-2-Benzyl-4-methoxycarbonyl-5-methyl-1-pyrazolidinecarboxylate
SpectraBase Compound ID 50RgI8HUgjw
InChI InChI=1S/C16H22N2O4/c1-4-22-16(20)18-12(2)14(15(19)21-3)11-17(18)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3/t12-,14+/m1/s1
InChIKey GVUNQBLZDYUHNA-OCCSQVGLSA-N
Mol Weight 306.36 g/mol
Molecular Formula C16H22N2O4
Exact Mass 306.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SgV7bQH6K9
Name Ethyl 4,5-trans-2-Benzyl-4-methoxycarbonyl-5-methyl-1-pyrazolidinecarboxylate
Alternate Name(s) 1-Ethyl 4-methyl (4S,5R)-2-benzyl-5-methyl-1,4-pyrazolidinedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O4
InChI InChI=1S/C16H22N2O4/c1-4-22-16(20)18-12(2)14(15(19)21-3)11-17(18)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3/t12-,14+/m1/s1
InChIKey GVUNQBLZDYUHNA-OCCSQVGLSA-N
Molecular Weight 306.362 g/mol
SMILES C1N(N([C@@]([C@]1(C(=O)OC)[H])(C)[H])C(=O)OCC)Cc1ccccc1
SPLASH splash10-0006-9100000000-e2427adc1eb1c0279925
Source of Spectrum AJ-62-3949-6
Wiley ID 1307981