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4-O-Butyryl-riboflavin

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4-O-Butyryl-riboflavin
SpectraBase Compound ID 4tfNjUlBsVB
InChI InChI=1S/C21H26N4O7/c1-4-5-16(28)32-9-15(27)18(29)14(26)8-25-13-7-11(3)10(2)6-12(13)22-17-19(25)23-21(31)24-20(17)30/h6-7,14-15,18,26-27,29H,4-5,8-9H2,1-3H3,(H,24,30,31)
InChIKey DNNYFPLSGADQHQ-UHFFFAOYSA-N
Mol Weight 446.46 g/mol
Molecular Formula C21H26N4O7
Exact Mass 446.180149 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lDXvJRTdxc
Name 4-O-Butyryl-riboflavin
Comments 177.4 PPM CHANGED TO 127.4 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H26N4O7
InChI InChI=1S/C21H26N4O7/c1-4-5-16(28)32-9-15(27)18(29)14(26)8-25-13-7-11(3)10(2)6-12(13)22-17-19(25)23-21(31)24-20(17)30/h6-7,14-15,18,26-27,29H,4-5,8-9H2,1-3H3,(H,24,30,31)
InChIKey DNNYFPLSGADQHQ-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference S. Riva, J. Choipineau, A.P. Kieboom, J. Am. Chem. Soc. 110, 584 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6