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(+)-3-[(3S,4S,5S)-2-Benzyloxycarbonyl-1-(tert-butoxycarbonyl)-4-phenyl-5-vinylpyrazolidine]carboxylic acid
SpectraBase Compound ID 75gCMMmcrjf
InChI InChI=1S/C25H28N2O6/c1-5-19-20(18-14-10-7-11-15-18)21(22(28)29)27(26(19)24(31)33-25(2,3)4)23(30)32-16-17-12-8-6-9-13-17/h5-15,19-21H,1,16H2,2-4H3,(H,28,29)/t19-,20-,21-/m0/s1
InChIKey LQKUKIRFPBSZTN-ACRUOGEOSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bkt3vhkZtdx
Name (+)-3-[(3S,4S,5S)-2-Benzyloxycarbonyl-1-(tert-butoxycarbonyl)-4-phenyl-5-vinylpyrazolidine]carboxylic acid
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Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-5-19-20(18-14-10-7-11-15-18)21(22(28)29)27(26(19)24(31)33-25(2,3)4)23(30)32-16-17-12-8-6-9-13-17/h5-15,19-21H,1,16H2,2-4H3,(H,28,29)/t19-,20-,21-/m0/s1
InChIKey LQKUKIRFPBSZTN-ACRUOGEOSA-N
Molecular Weight 452.507 g/mol
SMILES OC([C@]1(N(N(C(OC(C)(C)C)=O)[C@]([C@@]1(c1ccccc1)[H])(C=C)[H])C(OCc1ccccc1)=O)[H])=O
SPLASH splash10-052f-9510200000-8bfe725cd180268f194a
Source of Spectrum QE-5-894-16
Synonyms (3S,4S,5S)-2-[(benzyloxy)carbonyl]-1-(tert-butoxycarbonyl)-4-phenyl-5-vinyl-3-pyrazolidinecarboxylic acid
Wiley ID 844140