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2-[4-(Methoxycarbonyl)benzoyl]-5-[(2-nitrophenyl)hydroxymethyl]pyrrole
SpectraBase Compound ID GCsQTRXRJwr
InChI InChI=1S/C20H16N2O6/c1-28-20(25)13-8-6-12(7-9-13)18(23)15-10-11-16(21-15)19(24)14-4-2-3-5-17(14)22(26)27/h2-11,19,21,24H,1H3
InChIKey IXDKXYALMPZKJI-UHFFFAOYSA-N
Mol Weight 380.36 g/mol
Molecular Formula C20H16N2O6
Exact Mass 380.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSXVFLlgXJl
Name 2-[4-(Methoxycarbonyl)benzoyl]-5-[(2-nitrophenyl)hydroxymethyl]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O6
InChI InChI=1S/C20H16N2O6/c1-28-20(25)13-8-6-12(7-9-13)18(23)15-10-11-16(21-15)19(24)14-4-2-3-5-17(14)22(26)27/h2-11,19,21,24H,1H3
InChIKey IXDKXYALMPZKJI-UHFFFAOYSA-N
Molecular Weight 380.356 g/mol
SMILES [nH]1c(ccc1C(c1c(N(=O)=O)cccc1)O)C(c1ccc(C(=O)OC)cc1)=O
SPLASH splash10-03ea-0809000000-6a3f0f07a27c85fa6c37
Source of Spectrum J-58-7252-45
Synonyms Methyl 4-({5-[hydroxy(2-nitrophenyl)methyl]-1H-pyrrol-2-yl}carbonyl)benzoate
Wiley ID 1359633