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4-[3-(3-Trifluormethylphenoxy)propoxy]-7H-furo[3,2-g][1]benzopyran-7-one
SpectraBase Compound ID IdFlJ6knf2F
InChI InChI=1S/C21H15F3O5/c22-21(23,24)13-3-1-4-14(11-13)26-8-2-9-28-20-15-5-6-19(25)29-18(15)12-17-16(20)7-10-27-17/h1,3-7,10-12H,2,8-9H2
InChIKey BRUCNEJBTJLSAA-UHFFFAOYSA-N
Mol Weight 404.34 g/mol
Molecular Formula C21H15F3O5
Exact Mass 404.087158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYvXK4fGe3p
Name 4-[3-(3-Trifluormethylphenoxy)propoxy]-7H-furo[3,2-g][1]benzopyran-7-one
Alternate Name(s) 5-[3-(3-Trifluormethylphenoxy)propoxy]psoralen
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15F3O5
InChI InChI=1S/C21H15F3O5/c22-21(23,24)13-3-1-4-14(11-13)26-8-2-9-28-20-15-5-6-19(25)29-18(15)12-17-16(20)7-10-27-17/h1,3-7,10-12H,2,8-9H2
InChIKey BRUCNEJBTJLSAA-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 404.341 g/mol
SMILES c1(c2c(occ2)cc2c1C=CC(O2)=O)OCCCOc1cc(C(F)(F)F)ccc1
SPLASH splash10-004l-5900200000-a40929d82daf76780169
Source of Spectrum US20100121059A1
Wiley ID 1842291