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2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-[(1-methyl-1H-pyrrol-2-yl)methyl]-
SpectraBase Compound ID GAmy8Ug4IkF
InChI InChI=1S/C13H13NO4/c1-14-5-3-4-8(14)6-9-12(16)10(15)7-11(18-2)13(9)17/h3-5,7,16H,6H2,1-2H3
InChIKey VHCHBPNEFQZCJL-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MDLGm9bjqY
Name 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-[(1-methyl-1H-pyrrol-2-yl)methyl]-
CAS Registry Number 115686-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-14-5-3-4-8(14)6-9-12(16)10(15)7-11(18-2)13(9)17/h3-5,7,16H,6H2,1-2H3
InChIKey VHCHBPNEFQZCJL-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES OC1=C(C(C(=CC1=O)OC)=O)Cc1[n](ccc1)C
SPLASH splash10-000w-3090000000-d1e086355bde9a0e16c5
Source of Spectrum F-43-4175-1
Synonyms 2-Hydroxy-5-methoxy-3-[(1-methyl-1H-pyrrol-2-yl)methyl]benzo-1,4-quinone 3-(N-methylpyrr-2'-ylmethyl)-2-hydroxy-5-methoxy-1,4-benzoquinone
Wiley ID 1249933