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Dimethyl 3,4-trans-1-Benzyl-2-ethoxycarbonyl-3,4-pyrazolidinedicarboxylate
SpectraBase Compound ID ErpEVI0XzZG
InChI InChI=1S/C17H22N2O6/c1-4-25-17(22)19-14(16(21)24-3)13(15(20)23-2)11-18(19)10-12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3/t13-,14-/m1/s1
InChIKey QOGHDDJLYFAZTF-ZIAGYGMSSA-N
Mol Weight 350.37 g/mol
Molecular Formula C17H22N2O6
Exact Mass 350.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeqS7U1uvXZ
Name Dimethyl 3,4-trans-1-Benzyl-2-ethoxycarbonyl-3,4-pyrazolidinedicarboxylate
Alternate Name(s) 1-Ethyl 4,5-dimethyl (4R,5R)-2-benzyl-1,4,5-pyrazolidinetricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O6
InChI InChI=1S/C17H22N2O6/c1-4-25-17(22)19-14(16(21)24-3)13(15(20)23-2)11-18(19)10-12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3/t13-,14-/m1/s1
InChIKey QOGHDDJLYFAZTF-ZIAGYGMSSA-N
Molecular Weight 350.371 g/mol
SMILES [C@@]1(N(N(Cc2ccccc2)C[C@]1(C(=O)OC)[H])C(=O)OCC)(C(=O)OC)[H]
SPLASH splash10-0006-9202000000-335c7d2161b53479f7bf
Source of Spectrum AJ-62-3948-6
Wiley ID 1341820