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3,5,8-Triacetoxyisoquinoline
SpectraBase Compound ID 99CV6lMLUiQ
InChI InChI=1S/C15H13NO6/c1-8(17)20-13-4-5-14(21-9(2)18)12-7-16-15(6-11(12)13)22-10(3)19/h4-7H,1-3H3
InChIKey BWIWRQOWBBQVSN-UHFFFAOYSA-N
Mol Weight 303.27 g/mol
Molecular Formula C15H13NO6
Exact Mass 303.074287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HGIwhAWwDV
Name 3,5,8-Triacetoxyisoquinoline
Alternate Name(s) 3,5-bis(acetyloxy)-8-isoquinolinyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO6
InChI InChI=1S/C15H13NO6/c1-8(17)20-13-4-5-14(21-9(2)18)12-7-16-15(6-11(12)13)22-10(3)19/h4-7H,1-3H3
InChIKey BWIWRQOWBBQVSN-UHFFFAOYSA-N
Molecular Weight 303.270 g/mol
SMILES c12c(c(OC(=O)C)ccc2OC(=O)C)cc(nc1)OC(=O)C
SPLASH splash10-0006-9210000000-6973355141222576d524
Source of Spectrum F-55-3397-6
Wiley ID 837029