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rel-(3S,4S)-1-Benzyl-2-(tert-Butoxycarbonyl)-4-(1-chloroethyl)-3-pyrazolidinecarboxylic acid methyl ester
SpectraBase Compound ID GMB9A1Ub80A
InChI InChI=1S/C19H27ClN2O4/c1-13(20)15-12-21(11-14-9-7-6-8-10-14)22(16(15)17(23)25-5)18(24)26-19(2,3)4/h6-10,13,15-16H,11-12H2,1-5H3/t13?,15-,16+/m1/s1
InChIKey IZQOKBIUBPTREA-CZVYVAOFSA-N
Mol Weight 382.89 g/mol
Molecular Formula C19H27ClN2O4
Exact Mass 382.165935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WaCMTz98q0
Name rel-(3S,4S)-1-Benzyl-2-(tert-Butoxycarbonyl)-4-(1-chloroethyl)-3-pyrazolidinecarboxylic acid methyl ester
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Formula C19H27ClN2O4
InChI InChI=1S/C19H27ClN2O4/c1-13(20)15-12-21(11-14-9-7-6-8-10-14)22(16(15)17(23)25-5)18(24)26-19(2,3)4/h6-10,13,15-16H,11-12H2,1-5H3/t13?,15-,16+/m1/s1
InChIKey IZQOKBIUBPTREA-CZVYVAOFSA-N
Molecular Weight 382.888 g/mol
SMILES [C@]1(N(N(C[C@@]1(C(Cl)C)[H])Cc1ccccc1)C(OC(C)(C)C)=O)(C(=O)OC)[H]
SPLASH splash10-000x-9070000000-db0df39dd63532511f4b
Source of Spectrum F-49-8625-68
Synonyms 1-tert-Butyl 5-methyl (4S,5S)-2-benzyl-4-(1-chloroethyl)-1,5-pyrazolidinedicarboxylate
Wiley ID 788292