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1H-Pyrrole-3-propanoic acid, 5-[1-(3-acetyl-2,2-dimethylcyclopropyl)ethyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester
SpectraBase Compound ID 5EAiB9GaNZ3
InChI InChI=1S/C25H37NO7/c1-13(19-20(14(2)27)25(19,6)7)21-16(12-18(29)32-9)15(10-11-17(28)31-8)22(26-21)23(30)33-24(3,4)5/h13,19-20,26H,10-12H2,1-9H3
InChIKey GOJMPIQZPRKVEA-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C25H37NO7
Exact Mass 463.257003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUL7zy2aH7U
Name 1H-Pyrrole-3-propanoic acid, 5-[1-(3-acetyl-2,2-dimethylcyclopropyl)ethyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-(2-methoxy-2-oxoethyl)-, methyl ester
CAS Registry Number 121103-47-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37NO7
InChI InChI=1S/C25H37NO7/c1-13(19-20(14(2)27)25(19,6)7)21-16(12-18(29)32-9)15(10-11-17(28)31-8)22(26-21)23(30)33-24(3,4)5/h13,19-20,26H,10-12H2,1-9H3
InChIKey GOJMPIQZPRKVEA-UHFFFAOYSA-N
Molecular Weight 463.571 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)CCC(=O)OC)CC(=O)OC)C(C1C(C1C(=O)C)(C)C)C
SPLASH splash10-0a4i-0000900000-e2a5154f6e9bcb3cb229
Source of Spectrum KC-1989-272-29
Synonyms t-butyl 3-(2-methoxycarbonylethyl)-4-(methoxycarbonylmethyl)-5-(1-(2'-acetyl-3',3'-dimethylcyclopropyl)eth-2-yl)-pyrrole-2-carboxylate tert-butyl 5-[1-(3-acetyl-2,2-dimethylcyclopropyl)ethyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1391314