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3-(2-Methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid
SpectraBase Compound ID EAllgTy7nMd
InChI InChI=1S/C17H23NO8/c1-17(2,3)26-16(23)14-9(6-7-11(19)24-4)10(8-12(20)25-5)13(18-14)15(21)22/h18H,6-8H2,1-5H3,(H,21,22)
InChIKey KDJMQUSVQBWJQO-UHFFFAOYSA-N
Mol Weight 369.37 g/mol
Molecular Formula C17H23NO8
Exact Mass 369.142367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpIfYf9Ml65
Name 3-(2-Methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid
Alternate Name(s) 3-(2-Methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrole-2-carboxylic acid 3-(2-Methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrole-2-carboxylic acid 5-tert-Butoxycarbonyl-3-(2-keto-2-methoxy-ethyl)-4-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid
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Formula C17H23NO8
InChI InChI=1S/C17H23NO8/c1-17(2,3)26-16(23)14-9(6-7-11(19)24-4)10(8-12(20)25-5)13(18-14)15(21)22/h18H,6-8H2,1-5H3,(H,21,22)
InChIKey KDJMQUSVQBWJQO-UHFFFAOYSA-N
Molecular Weight 369.370 g/mol
SMILES [nH]1c(c(c(c1C(=O)O)CC(=O)OC)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0ue9-0091000000-925021aba5939e59dd87
Source of Spectrum KC-1992-2181-26
Wiley ID 776889