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4-([1-(4-Nitrophenyl)-3-oxopentyl]sulfanyl)-2H-chromen-2-one
SpectraBase Compound ID 7CggDLmdYCr
InChI InChI=1S/C20H17NO5S/c1-2-15(22)11-18(13-7-9-14(10-8-13)21(24)25)27-19-12-20(23)26-17-6-4-3-5-16(17)19/h3-10,12,18H,2,11H2,1H3
InChIKey LCIJRKSJIDFQDC-UHFFFAOYSA-N
Mol Weight 383.42 g/mol
Molecular Formula C20H17NO5S
Exact Mass 383.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ED33tHc3C5h
Name 4-([1-(4-Nitrophenyl)-3-oxopentyl]sulfanyl)-2H-chromen-2-one
Alternate Name(s) 4-[1-(4-nitrophenyl)-3-oxidanylidene-pentyl]sulfanylchromen-2-one 4-[1-(4-nitrophenyl)-3-oxo-pentyl]sulfanylchromen-2-one 4-[[1-(4-nitrophenyl)-3-oxopentyl]thio]-1-benzopyran-2-one 4-[[3-keto-1-(4-nitrophenyl)pentyl]thio]coumarin Coumarin, 4-[1-(4-nitrophenyl)-3-oxopentylthio]-
CAS Registry Number 67060-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO5S
InChI InChI=1S/C20H17NO5S/c1-2-15(22)11-18(13-7-9-14(10-8-13)21(24)25)27-19-12-20(23)26-17-6-4-3-5-16(17)19/h3-10,12,18H,2,11H2,1H3
InChIKey LCIJRKSJIDFQDC-UHFFFAOYSA-N
Molecular Weight 383.418 g/mol
SMILES c1ccc2c(c1)OC(C=C2SC(CC(CC)=O)c1ccc(cc1)N(=O)=O)=O
SPLASH splash10-0a6r-9500000000-b079e02a2b3ffd60d568
Source of Spectrum AD-0-2532-0
Wiley ID 1424127