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2-Heptyl-3-methoxycarbonylmethyl-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 3AEvE0zL6Nr
InChI InChI=1S/C17H28N2O4/c1-5-7-8-9-10-11-14-18-13(3)16(17(21)23-6-2)19(14)12-15(20)22-4/h5-12H2,1-4H3
InChIKey NKWHHDOYYXFIQV-UHFFFAOYSA-N
Mol Weight 324.42 g/mol
Molecular Formula C17H28N2O4
Exact Mass 324.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WuhwdbVVKG
Name 2-Heptyl-3-methoxycarbonylmethyl-5-methyl-3H-imidazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28N2O4
InChI InChI=1S/C17H28N2O4/c1-5-7-8-9-10-11-14-18-13(3)16(17(21)23-6-2)19(14)12-15(20)22-4/h5-12H2,1-4H3
InChIKey NKWHHDOYYXFIQV-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol901051z
Molecular Weight 324.421 g/mol
SMILES c1(C(OCC)=O)[n](CC(OC)=O)c(CCCCCCC)nc1C
SPLASH splash10-0gvo-0490000000-6239a0dd27ef50381553
Source of Spectrum A1-11-2840/SMS8-5s
Synonyms Ethyl 2-heptyl-1-(2-methoxy-2-oxoethyl)-4-methyl-1H-imidazole-5-carboxylate
Wiley ID 1756951