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2-Amino-4-(3-iodo-4,5-dimethoxyphenyl)-5-oxo-4,5-dihydro-pyrano[3,2-c]chromene-3-carbonitrile
SpectraBase Compound ID J17LM0v5iWg
InChI InChI=1S/C21H15IN2O5/c1-26-15-8-10(7-13(22)19(15)27-2)16-12(9-23)20(24)29-18-11-5-3-4-6-14(11)28-21(25)17(16)18/h3-8,16H,24H2,1-2H3
InChIKey FAVCHNUMGAJXOK-UHFFFAOYSA-N
Mol Weight 502.26 g/mol
Molecular Formula C21H15IN2O5
Exact Mass 502.002567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1VQ4K2CCoU
Name 2-Amino-4-(3-iodo-4,5-dimethoxyphenyl)-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 C21H15IN2O5
InChI InChI=1S/C21H15IN2O5/c1-26-15-8-10(7-13(22)19(15)27-2)16-12(9-23)20(24)29-18-11-5-3-4-6-14(11)28-21(25)17(16)18/h3-8,16H,24H2,1-2H3
InChIKey FAVCHNUMGAJXOK-UHFFFAOYSA-N
Instrument Name Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202200064
Molecular Weight 502.264 g/mol
SMILES NC=1OC=2c3ccccc3OC(C2C(C1C#N)c1cc(c(c(c1)I)OC)OC)=O
SPLASH splash10-000i-0393350000-84f234842b31380c2d8d
Source of Spectrum CMC-17-7-1b
Wiley ID 1873278