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2-Amino-4-(3,5-diiodo-4-methoxyphenyl)-5-oxo-4,5-dihydro-pyrano[3,2-c]chromene-3-carbonitrile
SpectraBase Compound ID KBOratK5rH0
InChI InChI=1S/C20H12I2N2O4/c1-26-18-12(21)6-9(7-13(18)22)15-11(8-23)19(24)28-17-10-4-2-3-5-14(10)27-20(25)16(15)17/h2-7,15H,24H2,1H3
InChIKey MHEFKRCUDSRPMM-UHFFFAOYSA-N
Mol Weight 598.13 g/mol
Molecular Formula C20H12I2N2O4
Exact Mass 597.888647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9ekBgp7wG7
Name 2-Amino-4-(3,5-diiodo-4-methoxyphenyl)-5-oxo-4,5-dihydro-pyrano[3,2-c]chromene-3-carbonitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12I2N2O4
InChI InChI=1S/C20H12I2N2O4/c1-26-18-12(21)6-9(7-13(18)22)15-11(8-23)19(24)28-17-10-4-2-3-5-14(10)27-20(25)16(15)17/h2-7,15H,24H2,1H3
InChIKey MHEFKRCUDSRPMM-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202200064
Molecular Weight 598.135 g/mol
SMILES NC=1OC=2c3ccccc3OC(C2C(C1C#N)c1cc(c(c(c1)I)OC)I)=O
SPLASH splash10-000i-0290230000-d6fa196fcf75dcf7b8bc
Source of Spectrum CMC-17-7-1d
Wiley ID 1873280