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4-{4-(Pyrimidin-2-thiolyl)butoxy}-7H-furo[3,2-g][1]benzopyran-7-one
SpectraBase Compound ID DUwIegw37Yb
InChI InChI=1S/C19H16N2O4S/c22-17-5-4-13-16(25-17)12-15-14(6-10-23-15)18(13)24-9-1-2-11-26-19-20-7-3-8-21-19/h3-8,10,12H,1-2,9,11H2
InChIKey RXBBGCUTEXDBEI-UHFFFAOYSA-N
Mol Weight 368.41 g/mol
Molecular Formula C19H16N2O4S
Exact Mass 368.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DOmgqdOUkd
Name 4-{4-(Pyrimidin-2-thiolyl)butoxy}-7H-furo[3,2-g][1]benzopyran-7-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O4S
InChI InChI=1S/C19H16N2O4S/c22-17-5-4-13-16(25-17)12-15-14(6-10-23-15)18(13)24-9-1-2-11-26-19-20-7-3-8-21-19/h3-8,10,12H,1-2,9,11H2
InChIKey RXBBGCUTEXDBEI-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 368.407 g/mol
SMILES c1(c2c(occ2)cc2c1C=CC(O2)=O)OCCCCSc1ncccn1
SPLASH splash10-014i-1901000000-70d251e723c5ec4458d4
Source of Spectrum US20100121059A1
Synonyms 5-{4-(Pyrimidin-2-thiolyl)butoxy}psoralen
Wiley ID 1842320