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1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-phenyl-1H-inden-1-ylidene)-
SpectraBase Compound ID CTUSiFnEoKF
InChI InChI=1S/C21H16O4/c1-21(2)24-19(22)18(20(23)25-21)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-12H,1-2H3
InChIKey CFHMFWJJJJWRPK-UHFFFAOYSA-N
Mol Weight 332.36 g/mol
Molecular Formula C21H16O4
Exact Mass 332.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KXuExypV5J
Name 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-phenyl-1H-inden-1-ylidene)-
Alternate Name(s) 2,2-dimethyl-5-(3'-phenyl-1'H-inden-1'-ylidene)-1,3-dioxan-4,6-dione 2,2-dimethyl-5-(3-phenyl-1H-inden-1-ylidene)-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-93'-phenyl-1'h-inden-1'-ylidene)-1,3-dioxan-4,6-dione
CAS Registry Number 115349-55-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O4
InChI InChI=1S/C21H16O4/c1-21(2)24-19(22)18(20(23)25-21)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-12H,1-2H3
InChIKey CFHMFWJJJJWRPK-UHFFFAOYSA-N
Molecular Weight 332.355 g/mol
SMILES C1(=C2C=C(c3ccccc3)c3c2cccc3)C(OC(OC1=O)(C)C)=O
SPLASH splash10-00di-0090000000-7c7dcd885620e40d4f6d
Source of Spectrum B-40-1684-9
Wiley ID 1329664