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(2S,4S,5R)-2-Isobutyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid 4-tert-butyl ester 2-methyl ester
SpectraBase Compound ID IWvZTTEL6oA
InChI InChI=1S/C19H29NO4S/c1-12(2)10-19(17(22)23-6)11-13(16(21)24-18(3,4)5)15(20-19)14-8-7-9-25-14/h7-9,12-13,15,20H,10-11H2,1-6H3/t13-,15+,19-/m0/s1
InChIKey PXBKIRRLARANQE-OHNRDTAOSA-N
Mol Weight 367.5 g/mol
Molecular Formula C19H29NO4S
Exact Mass 367.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlnVHIVvl9e
Name (2S,4S,5R)-2-Isobutyl-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid 4-tert-butyl ester 2-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29NO4S
InChI InChI=1S/C19H29NO4S/c1-12(2)10-19(17(22)23-6)11-13(16(21)24-18(3,4)5)15(20-19)14-8-7-9-25-14/h7-9,12-13,15,20H,10-11H2,1-6H3/t13-,15+,19-/m0/s1
InChIKey PXBKIRRLARANQE-OHNRDTAOSA-N
Molecular Weight 367.504 g/mol
SMILES N1[C@]([C@](C[C@]1(C(=O)OC)CC(C)C)(C(OC(C)(C)C)=O)[H])(c1sccc1)[H]
SPLASH splash10-0zfr-0395000000-8a20f47c9182b439ff0a
Source of Spectrum U1-2009-5632-19ha
Synonyms 2-Methyl 4-(t-Butyl) 2-isobutyl-5-(2'-thienyl)pyrrolidine-2,4-dicarboxylate
Wiley ID 1697295