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1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3-[3-(1H-imidazol-1-yl)-3-oxopropyl]-4-methyl-, 1,1-dimethylethyl ester, (Z)-
SpectraBase Compound ID Emik6FnoNPm
InChI InChI=1S/C24H30N4O4/c1-7-16-15(3)22(30)27-19(16)12-18-14(2)17(8-9-20(29)28-11-10-25-13-28)21(26-18)23(31)32-24(4,5)6/h10-13,26H,7-9H2,1-6H3,(H,27,30)/b19-12-
InChIKey DITMQVCKJWYFNR-UNOMPAQXSA-N
Mol Weight 438.53 g/mol
Molecular Formula C24H30N4O4
Exact Mass 438.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AN8nuQjMeLV
Name 1H-Pyrrole-2-carboxylic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3-[3-(1H-imidazol-1-yl)-3-oxopropyl]-4-methyl-, 1,1-dimethylethyl ester, (Z)-
Alternate Name(s) (Z)-3-Ethyl-3',4-dimethyl-5'-tert-butyloxy-carbonyl-4'-(2-(1-imidazolyl)-carbonylethyl)-5-1H-2,2'-pyrromethynon tert-Butyl 5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3-[3-(1H-imidazol-1-yl)-3-oxopropyl]-4-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 114605-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30N4O4
InChI InChI=1S/C24H30N4O4/c1-7-16-15(3)22(30)27-19(16)12-18-14(2)17(8-9-20(29)28-11-10-25-13-28)21(26-18)23(31)32-24(4,5)6/h10-13,26H,7-9H2,1-6H3,(H,27,30)/b19-12-
InChIKey DITMQVCKJWYFNR-UNOMPAQXSA-N
Molecular Weight 438.528 g/mol
SMILES [nH]1c(c(c(c1\C=C/1NC(C(=C1CC)C)=O)C)CCC([n]1cncc1)=O)C(OC(C)(C)C)=O
SPLASH splash10-014i-9032000000-8687d43eb60d4a2ba66a
Source of Spectrum AH-118-983-11
Wiley ID 1384142