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Pentanedioic acid, 2-[(4-bromobenzoyl)oxy]-, dimethyl ester, (.+-.)-
SpectraBase Compound ID 5NFmv4MFnYm
InChI InChI=1S/C14H15BrO6/c1-19-12(16)8-7-11(14(18)20-2)21-13(17)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKey RBXRQKMWBBIJTG-LLVKDONJSA-N
Mol Weight 359.17 g/mol
Molecular Formula C14H15BrO6
Exact Mass 358.005201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaFyMOxT2nt
Name Pentanedioic acid, 2-[(4-bromobenzoyl)oxy]-, dimethyl ester, (.+-.)-
Alternate Name(s) (R,S)-dimethyl 2-(4-brombenzoyloxy)pentanedioate Dimethyl (2R)-2-[(4-bromobenzoyl)oxy]pentanedioate
CAS Registry Number 111075-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15BrO6
InChI InChI=1S/C14H15BrO6/c1-19-12(16)8-7-11(14(18)20-2)21-13(17)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKey RBXRQKMWBBIJTG-LLVKDONJSA-N
Molecular Weight 359.172 g/mol
SMILES C(O[C@@](C(=O)OC)(CCC(=O)OC)[H])(c1ccc(cc1)Br)=O
SPLASH splash10-0020-0900000000-a62174de09dd5163a616
Source of Spectrum KC-1986-1577-54
Wiley ID 1346776