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8-(4-Fluorobenzylsulfanyl)angelicin
SpectraBase Compound ID KOtVvMRWUkY
InChI InChI=1S/C18H11FO3S/c19-13-5-1-11(2-6-13)10-23-17-9-14-15(21-17)7-3-12-4-8-16(20)22-18(12)14/h1-9H,10H2
InChIKey XBWZJUAZNCIPGN-UHFFFAOYSA-N
Mol Weight 326.34 g/mol
Molecular Formula C18H11FO3S
Exact Mass 326.041294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76dvJfnHxX0
Name 8-(4-Fluorobenzylsulfanyl)angelicin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11FO3S
InChI InChI=1S/C18H11FO3S/c19-13-5-1-11(2-6-13)10-23-17-9-14-15(21-17)7-3-12-4-8-16(20)22-18(12)14/h1-9H,10H2
InChIKey XBWZJUAZNCIPGN-UHFFFAOYSA-N
Molecular Weight 326.341 g/mol
SMILES c12c3OC(=O)C=Cc3ccc1oc(c2)SCc1ccc(cc1)F
SPLASH splash10-004i-0209000000-a00cd0be99429556344e
Source of Spectrum SO-0-1531-5
Synonyms 8-[(4-fluorobenzyl)sulfanyl]-2H-furo[2,3-h]chromen-2-one
Wiley ID 878208