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1H-Pyrrole-3-propanoic acid, 2-[(acetyloxy)methyl]-4-methyl-5-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
SpectraBase Compound ID AUVr4xBgEGF
InChI InChI=1S/C26H27NO6/c1-18-22(13-14-24(29)32-15-20-9-5-3-6-10-20)23(17-31-19(2)28)27-25(18)26(30)33-16-21-11-7-4-8-12-21/h3-12,27H,13-17H2,1-2H3
InChIKey WHLTWDZKJDOLQT-UHFFFAOYSA-N
Mol Weight 449.5 g/mol
Molecular Formula C26H27NO6
Exact Mass 449.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aDA0jcDaCu
Name 1H-Pyrrole-3-propanoic acid, 2-[(acetyloxy)methyl]-4-methyl-5-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
Alternate Name(s) Benzyl 5-acetoxymethyl-4-(2-benzyloxycarbonylethyl)-3-methylpyrrole-2-carboxylate benzyl 5-[(acetyloxy)methyl]-4-[3-(benzyloxy)-3-oxopropyl]-3-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 99602-67-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO6
InChI InChI=1S/C26H27NO6/c1-18-22(13-14-24(29)32-15-20-9-5-3-6-10-20)23(17-31-19(2)28)27-25(18)26(30)33-16-21-11-7-4-8-12-21/h3-12,27H,13-17H2,1-2H3
InChIKey WHLTWDZKJDOLQT-UHFFFAOYSA-N
Molecular Weight 449.503 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)C)CCC(=O)OCc1ccccc1)COC(=O)C
SPLASH splash10-0006-9001100000-7891927f76f1cfc41770
Source of Spectrum KC-1985-1704-26
Wiley ID 1387467