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(Z,Z,Z)-3-Methoxycarbonylmethyl-13,17-diethyl-bilin derivative
SpectraBase Compound ID 6R4qIAn8SK0
InChI InChI=1S/C32H40N4O4/c1-10-20-18(5)25(34-26(20)15-27-21(11-2)19(6)30(38)35-27)13-23-16(3)17(4)24(33-23)14-28-22(12-29(37)40-9)32(7,8)31(39)36-28/h13-15,22,34H,10-12H2,1-9H3,(H,35,38)(H,36,39)/b23-13-,27-15-,28-14-
InChIKey FRCOUAVGPXEWSI-MLFJBNIISA-N
Mol Weight 544.7 g/mol
Molecular Formula C32H40N4O4
Exact Mass 544.304956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4KSUUcKFE5
Name (Z,Z,Z)-3-Methoxycarbonylmethyl-13,17-diethyl-bilin derivative
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Formula C32H40N4O4
InChI InChI=1S/C32H40N4O4/c1-10-20-18(5)25(34-26(20)15-27-21(11-2)19(6)30(38)35-27)13-23-16(3)17(4)24(33-23)14-28-22(12-29(37)40-9)32(7,8)31(39)36-28/h13-15,22,34H,10-12H2,1-9H3,(H,35,38)(H,36,39)/b23-13-,27-15-,28-14-
InChIKey FRCOUAVGPXEWSI-MLFJBNIISA-N
Instrument Name Bruker WM-360
Literature Reference H. Falk, K. Grubmayr, N. Mueller, Monatsh. Chem. 116, 53 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD2Cl2