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Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)-3-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl] pyrrolidine-2-carboxylate
SpectraBase Compound ID 9HPI96m49Pp
InChI InChI=1S/C21H28N4O5/c1-21(2,3)30-20(28)25-16(13-26)10-15(18(25)19(27)29-4)11-24-12-17(22-23-24)14-8-6-5-7-9-14/h5-9,12,15-16,18,26H,10-11,13H2,1-4H3/t15-,16+,18+/m0/s1
InChIKey KJPVOQCRGDVYRD-LZLYRXPVSA-N
Mol Weight 416.48 g/mol
Molecular Formula C21H28N4O5
Exact Mass 416.20597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7o9nxnMICYA
Name Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)-3-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl] pyrrolidine-2-carboxylate
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Formula C21H28N4O5
InChI InChI=1S/C21H28N4O5/c1-21(2,3)30-20(28)25-16(13-26)10-15(18(25)19(27)29-4)11-24-12-17(22-23-24)14-8-6-5-7-9-14/h5-9,12,15-16,18,26H,10-11,13H2,1-4H3/t15-,16+,18+/m0/s1
InChIKey KJPVOQCRGDVYRD-LZLYRXPVSA-N
Literature Reference DOI 10.1016/j.ejmech.2015.05.029
Molecular Weight 416.478 g/mol
SMILES OC[C@@]1(N(C(OC(C)(C)C)=O)[C@]([C@](C[n]2nnc(c2)-c2ccccc2)(C1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-029l-1932000000-7ee9837d9049eb3ed5b3
Source of Spectrum EMC-98-216-(+/_)_3
Synonyms 1-(tert-butyl) 2-methyl (2R,3S,5R)-5-(hydroxymethyl)-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)pyrrolidine-1,2-dicarboxylate
Wiley ID 1782897