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Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)-3-[[4-(2-nitrophenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)-3-[[4-(2-nitrophenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
SpectraBase Compound ID AEP27Qu01Fd
InChI InChI=1S/C21H27N5O7/c1-21(2,3)33-20(29)25-14(12-27)9-13(18(25)19(28)32-4)10-24-11-16(22-23-24)15-7-5-6-8-17(15)26(30)31/h5-8,11,13-14,18,27H,9-10,12H2,1-4H3/t13-,14+,18+/m0/s1
InChIKey XVRWCPKGRWYOFD-PMUMKWKESA-N
Mol Weight 461.48 g/mol
Molecular Formula C21H27N5O7
Exact Mass 461.191048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b9RYqVCMq
Name Methyl(+/-)-(2R*,3S*,5R*)-1-(tert-butoxycarbonyl)-5-(hydroxymethyl)-3-[[4-(2-nitrophenyl)-1H-1,2,3-triazol-1-yl]methyl]pyrrolidine-2-carboxylate
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Formula C21H27N5O7
InChI InChI=1S/C21H27N5O7/c1-21(2,3)33-20(29)25-14(12-27)9-13(18(25)19(28)32-4)10-24-11-16(22-23-24)15-7-5-6-8-17(15)26(30)31/h5-8,11,13-14,18,27H,9-10,12H2,1-4H3/t13-,14+,18+/m0/s1
InChIKey XVRWCPKGRWYOFD-PMUMKWKESA-N
Literature Reference DOI 10.1016/j.ejmech.2015.05.029
Molecular Weight 461.475 g/mol
SMILES OC[C@]1(C[C@@](C[n]2cc(nn2)-c2c(cccc2)[N+](=O)[O-])([C@](C(OC)=O)(N1C(OC(C)(C)C)=O)[H])[H])[H]
SPLASH splash10-06wc-9806000000-d25d2e0124c325cd6b28
Source of Spectrum EMC-98-217-(+/_)_6
Synonyms 1-(tert-butyl) 2-methyl (2R,3S,5R)-5-(hydroxymethyl)-3-((4-(2-nitrophenyl)-1H-1,2,3-triazol-1-yl)methyl)pyrrolidine-1,2-dicarboxylate
Wiley ID 1782899