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1-(Psoralen-8-yloxy)-8-(adenin-9-yl)-3,6-dioxaoctane
SpectraBase Compound ID 8Wc4qqNEyA4
InChI InChI=1S/C22H21N5O6/c23-21-17-22(25-12-24-21)27(13-26-17)4-6-29-7-8-30-9-10-32-20-18-15(3-5-31-18)11-14-1-2-16(28)33-19(14)20/h1-3,5,11-13H,4,6-10H2,(H2,23,24,25)
InChIKey JFFAYBCENSNXEF-UHFFFAOYSA-N
Mol Weight 451.44 g/mol
Molecular Formula C22H21N5O6
Exact Mass 451.149183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVbQ4X3Ysk
Name 1-(Psoralen-8-yloxy)-8-(adenin-9-yl)-3,6-dioxaoctane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5O6
InChI InChI=1S/C22H21N5O6/c23-21-17-22(25-12-24-21)27(13-26-17)4-6-29-7-8-30-9-10-32-20-18-15(3-5-31-18)11-14-1-2-16(28)33-19(14)20/h1-3,5,11-13H,4,6-10H2,(H2,23,24,25)
InChIKey JFFAYBCENSNXEF-UHFFFAOYSA-N
Molecular Weight 451.439 g/mol
SMILES Nc1c2nc[n](c2ncn1)CCOCCOCCOc1c2OC(=O)C=Cc2cc2c1occ2
SPLASH splash10-1170-0980000000-99a49482cb4fe6f672ec
Source of Spectrum KC-1983-1812-0
Synonyms 9-(2-{2-[2-(6-amino-9H-purin-9-yl)ethoxy]ethoxy}ethoxy)-7H-furo[3,2-g]chromen-7-one
Wiley ID 1387939