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Vinyl-neoxanthobilirubinic acid, methyl ester
SpectraBase Compound ID JxCNRdU3dtY
InChI InChI=1S/C17H20N2O3/c1-5-13-11(3)17(21)19-15(13)8-14-10(2)12(9-18-14)6-7-16(20)22-4/h5,8-9,18H,1,6-7H2,2-4H3,(H,19,21)/b15-8+
InChIKey SUPJJQJJTLLPIZ-OVCLIPMQSA-N
Mol Weight 300.36 g/mol
Molecular Formula C17H20N2O3
Exact Mass 300.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9J474VABeTX
Name Vinyl-neoxanthobilirubinic acid, methyl ester
CAS Registry Number 79875-17-5
Comments reassigned
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Formula C17H20N2O3
InChI InChI=1S/C17H20N2O3/c1-5-13-11(3)17(21)19-15(13)8-14-10(2)12(9-18-14)6-7-16(20)22-4/h5,8-9,18H,1,6-7H2,2-4H3,(H,19,21)/b15-8+
InChIKey SUPJJQJJTLLPIZ-OVCLIPMQSA-N
Instrument Name Bruker WH-270
Literature Reference D. Kaplan, G. Navon, Org. Magn. Resonance 17, 79 (1981).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6