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1H-Pyrrole-3-propanoic acid, 5-(2-acetyl-3-oxobutyl)-4-(2-methoxy-2-oxoethyl)-2-[(phenylmethoxy)carbonyl]-, methyl ester
SpectraBase Compound ID HzmowjPlaQt
InChI InChI=1S/C25H29NO8/c1-15(27)19(16(2)28)12-21-20(13-23(30)33-4)18(10-11-22(29)32-3)24(26-21)25(31)34-14-17-8-6-5-7-9-17/h5-9,19,26H,10-14H2,1-4H3
InChIKey AHTGFGOYYYEJHV-UHFFFAOYSA-N
Mol Weight 471.51 g/mol
Molecular Formula C25H29NO8
Exact Mass 471.189317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHBG92yqu0e
Name 1H-Pyrrole-3-propanoic acid, 5-(2-acetyl-3-oxobutyl)-4-(2-methoxy-2-oxoethyl)-2-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Registry Number 116683-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO8
InChI InChI=1S/C25H29NO8/c1-15(27)19(16(2)28)12-21-20(13-23(30)33-4)18(10-11-22(29)32-3)24(26-21)25(31)34-14-17-8-6-5-7-9-17/h5-9,19,26H,10-14H2,1-4H3
InChIKey AHTGFGOYYYEJHV-UHFFFAOYSA-N
Molecular Weight 471.506 g/mol
SMILES [nH]1c(c(c(c1C(OCc1ccccc1)=O)CCC(=O)OC)CC(=O)OC)CC(C(=O)C)C(=O)C
SPLASH splash10-025c-4049600000-ee03e7d45fc640585ef5
Source of Spectrum KC-1988-1194-25
Synonyms Benzyl 5-(2,2-diacetylethyl)-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethylpyrrole-2-carboxylate benzyl 5-(2-acetyl-3-oxobutyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1393117