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O-acetyl-isoursuline
SpectraBase Compound ID 4vP99LX5gKM
InChI InChI=1S/C16H13NO4/c1-8-6-7-17-14-12(8)15(19)10-4-5-11(20-3)16(13(10)14)21-9(2)18/h4-7H,1-3H3
InChIKey JCXAUJXBWMLUQI-UHFFFAOYSA-N
Mol Weight 283.28 g/mol
Molecular Formula C16H13NO4
Exact Mass 283.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jzaGit6o0c
Name O-acetyl-isoursuline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO4
InChI InChI=1S/C16H13NO4/c1-8-6-7-17-14-12(8)15(19)10-4-5-11(20-3)16(13(10)14)21-9(2)18/h4-7H,1-3H3
InChIKey JCXAUJXBWMLUQI-UHFFFAOYSA-N
Molecular Weight 283.283 g/mol
SMILES c1-2c(C(=O)c3c2nccc3C)ccc(c1OC(=O)C)OC
SPLASH splash10-01ox-0390000000-c74bfe9718a0aac12726
Source of Spectrum X2-51-560-5
Synonyms Acetic acid (8-methoxy-4-methyl-5-oxo-9-indeno[1,2-b]pyridinyl) ester (8-methoxy-4-methyl-5-oxoindeno[1,2-b]pyridin-9-yl) acetate (8-methoxy-4-methyl-5-oxo-indeno[1,2-b]pyridin-9-yl) acetate (8-methoxy-4-methyl-5-oxidanylidene-indeno[1,2-b]pyridin-9-yl) ethanoate
Wiley ID 1602736