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Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester
SpectraBase Compound ID 5ZLDzNhFJwM
InChI InChI=1S/C19H27BrO8/c1-13(21)15(23)8-4-6-10-27-17(25)19(3,12-20)18(26)28-11-7-5-9-16(24)14(2)22/h4-12H2,1-3H3
InChIKey PUYDNGVSWHAEKE-UHFFFAOYSA-N
Mol Weight 463.32 g/mol
Molecular Formula C19H27BrO8
Exact Mass 462.088931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yNMVA9HbzC
Name Propanedioic acid, (bromomethyl)methyl-, bis(5,6-dioxoheptyl) ester
CAS Registry Number 60004-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27BrO8
InChI InChI=1S/C19H27BrO8/c1-13(21)15(23)8-4-6-10-27-17(25)19(3,12-20)18(26)28-11-7-5-9-16(24)14(2)22/h4-12H2,1-3H3
InChIKey PUYDNGVSWHAEKE-UHFFFAOYSA-N
Molecular Weight 463.321 g/mol
SMILES C(C(C(OCCCCC(C(C)=O)=O)=O)(CBr)C)(OCCCCC(C(C)=O)=O)=O
SPLASH splash10-004l-9700000000-abb417786133a7c0c5b9
Source of Spectrum H-61-1581-0
Synonyms Bis(5,6-dioxoheptyl) 2-(bromomethyl)-2-methylmalonate 2-(bromomethyl)-2-methyl-malonic acid bis(5,6-diketoheptyl) ester 2-(bromomethyl)-2-methylpropanedioic acid bis(5,6-dioxoheptyl) ester bis(5,6-dioxoheptyl) 2-(bromomethyl)-2-methyl-propanedioate Bis(5,6-dioxoheptyl) ester of Bromomethylmethylmalonic acid bis(5,6-dioxoheptyl) 2-(bromomethyl)-2-methylpropanedioate
Wiley ID 1390910