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4-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]-1-methoxy-9H-carbazole-3-carboxylic acid methyl ester
SpectraBase Compound ID 3FNYeiODjru
InChI InChI=1S/C20H21NO5/c1-20(2,26-23)10-9-12-14(19(22)25-4)11-16(24-3)18-17(12)13-7-5-6-8-15(13)21-18/h5-11,21,23H,1-4H3/b10-9+
InChIKey DTWJJNIMNAZCIL-MDZDMXLPSA-N
Mol Weight 355.39 g/mol
Molecular Formula C20H21NO5
Exact Mass 355.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnEzXbNRqXG
Name 4-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]-1-methoxy-9H-carbazole-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 4-[(E)-3-(dioxidanyl)-3-methyl-but-1-enyl]-1-methoxy-9H-carbazole-3-carboxylate Methyl 4-[(E)-3-hydroperoxy-3-methyl-but-1-enyl]-1-methoxy-9H-carbazole-3-carboxylate 4-[(E)-3-hydroperoxy-3-methylbut-1-enyl]-1-methoxy-9H-carbazole-3-carboxylic acid methyl ester
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Formula C20H21NO5
InChI InChI=1S/C20H21NO5/c1-20(2,26-23)10-9-12-14(19(22)25-4)11-16(24-3)18-17(12)13-7-5-6-8-15(13)21-18/h5-11,21,23H,1-4H3/b10-9+
InChIKey DTWJJNIMNAZCIL-MDZDMXLPSA-N
Molecular Weight 355.390 g/mol
SMILES OOC(\C=C\c1c2c(c(cc1C(=O)OC)OC)[nH]c1ccccc21)(C)C
SPLASH splash10-001i-0091000000-86bc8f383aa52f9b249e
Source of Spectrum G4-63-127-4
Wiley ID 1608224