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4-(4-[4-Nitrophenoxy]butoxy)-7H-furo[3,2-g][1]benzopyran-7-one
SpectraBase Compound ID 9HpOjemEBcp
InChI InChI=1S/C21H17NO7/c23-20-8-7-16-19(29-20)13-18-17(9-12-27-18)21(16)28-11-2-1-10-26-15-5-3-14(4-6-15)22(24)25/h3-9,12-13H,1-2,10-11H2
InChIKey BYONSHWNDCZJFZ-UHFFFAOYSA-N
Mol Weight 395.37 g/mol
Molecular Formula C21H17NO7
Exact Mass 395.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Fx5wQbRu5o
Name 4-(4-[4-Nitrophenoxy]butoxy)-7H-furo[3,2-g][1]benzopyran-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO7
InChI InChI=1S/C21H17NO7/c23-20-8-7-16-19(29-20)13-18-17(9-12-27-18)21(16)28-11-2-1-10-26-15-5-3-14(4-6-15)22(24)25/h3-9,12-13H,1-2,10-11H2
InChIKey BYONSHWNDCZJFZ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 395.367 g/mol
SMILES c12c(c3c(cc2occ1)OC(C=C3)=O)OCCCCOc1ccc(cc1)[N+]([O-])=O
SPLASH splash10-0zfu-4910000000-d3d5eb735a6ebae7b06c
Source of Spectrum US20100121059A1
Synonyms 5-(4-[4-Nitrophenoxy]butoxy)psoralen
Wiley ID 1842309