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3-(2-tert-Butoxycarbonylethyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid 5-Benzyl ester
SpectraBase Compound ID 3kcdS3FQ95L
InChI InChI=1S/C21H25NO6/c1-13-15(10-11-16(23)28-21(2,3)4)18(19(24)25)22-17(13)20(26)27-12-14-8-6-5-7-9-14/h5-9,22H,10-12H2,1-4H3,(H,24,25)
InChIKey PPRYCYRFRKRDNY-UHFFFAOYSA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3l0qiHM3Ovd
Name 3-(2-tert-Butoxycarbonylethyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid 5-Benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-13-15(10-11-16(23)28-21(2,3)4)18(19(24)25)22-17(13)20(26)27-12-14-8-6-5-7-9-14/h5-9,22H,10-12H2,1-4H3,(H,24,25)
InChIKey PPRYCYRFRKRDNY-UHFFFAOYSA-N
Molecular Weight 387.432 g/mol
SMILES [nH]1c(C(=O)O)c(c(C)c1C(OCc1ccccc1)=O)CCC(OC(C)(C)C)=O
SPLASH splash10-0006-9000000000-dacb32d0c77dd341ffe1
Source of Spectrum F4-38-93-10
Wiley ID 1669734