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4-(2-Methylfluoranthen-8(9)-yl)-4-oxobutyric acid
SpectraBase Compound ID 8p79JSp4fNS
InChI InChI=1S/C21H16O3/c1-12-9-14-3-2-4-16-17-11-13(19(22)7-8-20(23)24)5-6-15(17)18(10-12)21(14)16/h2-6,9-11H,7-8H2,1H3,(H,23,24)
InChIKey ZRQUJPQQGKYMPG-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C21H16O3
Exact Mass 316.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9Zs3dv8JWT
Name 4-(2-Methylfluoranthen-8(9)-yl)-4-oxobutyric acid
Alternate Name(s) 4-(2-Methyl-8-fluoranthenyl)-4-oxobutanoic acid
CAS Registry Number 95741-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O3
InChI InChI=1S/C21H16O3/c1-12-9-14-3-2-4-16-17-11-13(19(22)7-8-20(23)24)5-6-15(17)18(10-12)21(14)16/h2-6,9-11H,7-8H2,1H3,(H,23,24)
InChIKey ZRQUJPQQGKYMPG-UHFFFAOYSA-N
Molecular Weight 316.356 g/mol
SMILES OC(CCC(c1cc2-c3c4c(cc(cc4-c2cc1)C)ccc3)=O)=O
SPLASH splash10-00kf-0092000000-a9e56b64c7451bbbb500
Source of Spectrum J-50-1953-47
Wiley ID 1317148