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1-Ethanone, 1-[4-acetyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-
SpectraBase Compound ID KhiTVH7VvGW
InChI InChI=1S/C18H19NO4/c1-10-17(12(3)20)18(13(4)21)11(2)19(10)8-14-5-6-15-16(7-14)23-9-22-15/h5-7H,8-9H2,1-4H3
InChIKey UNPYVQFXMDTLHW-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KA4DGl77Q34
Name 1-Ethanone, 1-[4-acetyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-10-17(12(3)20)18(13(4)21)11(2)19(10)8-14-5-6-15-16(7-14)23-9-22-15/h5-7H,8-9H2,1-4H3
InChIKey UNPYVQFXMDTLHW-UHFFFAOYSA-N
Molecular Weight 313.353 g/mol
SMILES c1(c(c([n](c1C)Cc1ccc2c(c1)OCO2)C)C(C)=O)C(C)=O
SPLASH splash10-000i-7900000000-20b3ae9c6edf77d670b2
Source of Spectrum IY-2-4737-1
Synonyms 1-[4-acetyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone 1-[4-acetyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone 1-[4-acetyl-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-ethanoyl-2,5-dimethyl-pyrrol-3-yl]ethanone
Wiley ID 1655354