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Methyl 2-(3-butylselanyl-5-oxo-5H-selenopheno[3,2-c]isochromen-2-yl)benzoate
SpectraBase Compound ID IHDbiqTNSAH
InChI InChI=1S/C23H20O4Se2/c1-3-4-13-28-21-18-19(14-9-5-8-12-17(14)23(25)27-18)29-20(21)15-10-6-7-11-16(15)22(24)26-2/h5-12H,3-4,13H2,1-2H3
InChIKey QXJUBRGNNPVJCQ-UHFFFAOYSA-N
Mol Weight 518.35 g/mol
Molecular Formula C23H20O4Se2
Exact Mass 519.969203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ih1MyZLKBBq
Name Methyl 2-(3-butylselanyl-5-oxo-5H-selenopheno[3,2-c]isochromen-2-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O4Se2
InChI InChI=1S/C23H20O4Se2/c1-3-4-13-28-21-18-19(14-9-5-8-12-17(14)23(25)27-18)29-20(21)15-10-6-7-11-16(15)22(24)26-2/h5-12H,3-4,13H2,1-2H3
InChIKey QXJUBRGNNPVJCQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201900288
Molecular Weight 518.353 g/mol
SMILES c1c2C(=O)Oc3c([Se]CCCC)c(-c4ccccc4C(OC)=O)[se]c3-c2ccc1
SPLASH splash10-001i-3109000000-4f17a0a796eca8098e69
Source of Spectrum ASC-361-3409-3m
Synonyms Methyl 2-(3-(butylselanyl)-5-oxo-5H-selenopheno[3,2-c]isochromen-2-yl)benzoate
Wiley ID 1819006