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2H-1-Benzopyran-4-carbonitrile, 3,6,7-trimethoxy-
SpectraBase Compound ID E5boxXCwdnH
InChI InChI=1S/C13H13NO4/c1-15-11-4-8-9(6-14)13(17-3)7-18-10(8)5-12(11)16-2/h4-5H,7H2,1-3H3
InChIKey BBUXUXZBIOEUSC-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B33F7iWs13o
Name 2H-1-Benzopyran-4-carbonitrile, 3,6,7-trimethoxy-
CAS Registry Number 76322-33-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-15-11-4-8-9(6-14)13(17-3)7-18-10(8)5-12(11)16-2/h4-5H,7H2,1-3H3
InChIKey BBUXUXZBIOEUSC-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES C=1(c2c(cc(c(c2)OC)OC)OCC1OC)C#N
SPLASH splash10-00l2-2190000000-c594348504d1b744c1ef
Source of Spectrum AN-89-479-0
Synonyms 3,6,7-trimethoxy-2H-chromene-4-carbonitrile 4-Cyano-3,6,7-trimethoxy-[2H][1]benzopyran
Wiley ID 1249930