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Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester
SpectraBase Compound ID DHZ3zOmgOnL
InChI InChI=1S/C19H27BrO4/c1-4-6-8-10-12-14-23-17(21)19(3,16-20)18(22)24-15-13-11-9-7-5-2/h8-16H2,1-3H3
InChIKey DQAQMMYKMRVDPV-UHFFFAOYSA-N
Mol Weight 399.33 g/mol
Molecular Formula C19H27BrO4
Exact Mass 398.109272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPIG5hpUmgD
Name Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester
CAS Registry Number 60004-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27BrO4
InChI InChI=1S/C19H27BrO4/c1-4-6-8-10-12-14-23-17(21)19(3,16-20)18(22)24-15-13-11-9-7-5-2/h8-16H2,1-3H3
InChIKey DQAQMMYKMRVDPV-UHFFFAOYSA-N
Molecular Weight 399.325 g/mol
SMILES C(C(C(OCCCCC#CC)=O)(CBr)C)(OCCCCC#CC)=O
SPLASH splash10-016u-9100000000-7dba1d659aea2b4e853e
Source of Spectrum H-61-1580-0
Synonyms Di(5-heptynyl) 2-(bromomethyl)-2-methylmalonate 2-(bromomethyl)-2-methyl-malonic acid bis(hept-5-ynyl) ester 2-(bromomethyl)-2-methylpropanedioic acid bis(hept-5-ynyl) ester Bis(5-heptyn-1-yl) ester of Bromomethylmethylmalonic acid bis(hept-5-ynyl) 2-(bromomethyl)-2-methyl-propanedioate
Wiley ID 1368279