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O,N-Diacetyl-deoxyrubroflavin
SpectraBase Compound ID IAH6jRzgWnw
InChI InChI=1S/C13H15N3O4S2/c1-7(17)14-13(19)16-15-12-10(21-3)5-9(20-8(2)18)6-11(12)22-4/h5-6H,1-4H3,(H,14,17,19)/b16-15+
InChIKey XJZQPRXPELAXFO-FOCLMDBBSA-N
Mol Weight 341.4 g/mol
Molecular Formula C13H15N3O4S2
Exact Mass 341.050398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nG5D3hzYBl
Name O,N-Diacetyl-deoxyrubroflavin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O4S2
InChI InChI=1S/C13H15N3O4S2/c1-7(17)14-13(19)16-15-12-10(21-3)5-9(20-8(2)18)6-11(12)22-4/h5-6H,1-4H3,(H,14,17,19)/b16-15+
InChIKey XJZQPRXPELAXFO-FOCLMDBBSA-N
Molecular Weight 341.400 g/mol
SMILES N(C(\N=N\c1c(cc(cc1SC)OC(=O)C)SC)=O)C(=O)C
SPLASH splash10-0006-9220000000-b773de17d582318f2374
Source of Spectrum K1-2001-3102-10
Synonyms 4-{(E)-[(acetylamino)carbonyl]diazenyl}-3,5-bis(methylsulfanyl)phenyl acetate
Wiley ID 814080