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O-Acetyl-deoxyrubroflavin
SpectraBase Compound ID AXTtkYzkEun
InChI InChI=1S/C11H13N3O3S2/c1-6(15)17-7-4-8(18-2)10(9(5-7)19-3)13-14-11(12)16/h4-5H,1-3H3,(H2,12,16)/b14-13+
InChIKey DMABFWFOLXTBQW-BUHFOSPRSA-N
Mol Weight 299.36 g/mol
Molecular Formula C11H13N3O3S2
Exact Mass 299.039834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3tgHk6fwOm
Name O-Acetyl-deoxyrubroflavin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3O3S2
InChI InChI=1S/C11H13N3O3S2/c1-6(15)17-7-4-8(18-2)10(9(5-7)19-3)13-14-11(12)16/h4-5H,1-3H3,(H2,12,16)/b14-13+
InChIKey DMABFWFOLXTBQW-BUHFOSPRSA-N
Molecular Weight 299.363 g/mol
SMILES NC(\N=N\c1c(cc(cc1SC)OC(=O)C)SC)=O
SPLASH splash10-000f-9840000000-a5b4c2829dae918ec186
Source of Spectrum K1-2001-3102-9
Synonyms 4-[(E)-(aminocarbonyl)diazenyl]-3,5-bis(methylsulfanyl)phenyl acetate
Wiley ID 814081