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3,beta-Dimethylisoalloxazin-10-propionic acid methyl ester
SpectraBase Compound ID ASSikFr9P31
InChI InChI=1S/C16H16N4O4/c1-9(8-12(21)24-3)20-11-7-5-4-6-10(11)17-13-14(20)18-16(23)19(2)15(13)22/h4-7,9H,8H2,1-3H3
InChIKey PPCVVBRSKNTFGK-UHFFFAOYSA-N
Mol Weight 328.33 g/mol
Molecular Formula C16H16N4O4
Exact Mass 328.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5VgYIoFSjl
Name 3,beta-Dimethylisoalloxazin-10-propionic acid methyl ester
Alternate Name(s) Methyl 3-(3-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4O4
InChI InChI=1S/C16H16N4O4/c1-9(8-12(21)24-3)20-11-7-5-4-6-10(11)17-13-14(20)18-16(23)19(2)15(13)22/h4-7,9H,8H2,1-3H3
InChIKey PPCVVBRSKNTFGK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080730
Molecular Weight 328.328 g/mol
SMILES c1cc2c(cc1)N=C1C(N2C(CC(OC)=O)C)=NC(N(C1=O)C)=O
SPLASH splash10-002f-2950000000-c66a4b4abfa435c2843c
Source of Spectrum K-108-2436-2i
Wiley ID 1794000