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2-Bromomalonic acid O1-benzyl ester O3-tert-butyl ester
SpectraBase Compound ID 8t1SebjvCOK
InChI InChI=1S/C14H17BrO4/c1-14(2,3)19-13(17)11(15)12(16)18-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKey CYNWVCZADICBNM-UHFFFAOYSA-N
Mol Weight 329.19 g/mol
Molecular Formula C14H17BrO4
Exact Mass 328.031022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDou3EstL1Y
Name 2-Bromomalonic acid O1-benzyl ester O3-tert-butyl ester
Alternate Name(s) 2-Bromopropanedioic acid O1-tert-butyl ester O3-(phenylmethyl) ester 3-O-benzyl 1-O-tert-butyl 2-bromopropanedioate O1-benzyl O3-tert-butyl 2-bromopropanedioate O1-tert-butyl O3-(phenylmethyl) 2-bromanylpropanedioate
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Formula C14H17BrO4
InChI InChI=1S/C14H17BrO4/c1-14(2,3)19-13(17)11(15)12(16)18-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKey CYNWVCZADICBNM-UHFFFAOYSA-N
Molecular Weight 329.190 g/mol
SMILES C(C(C(=O)OCc1ccccc1)Br)(=O)OC(C)(C)C
SPLASH splash10-0006-0901000000-fb1a17e7040392bd35b6
Source of Spectrum KC-1992-2186-56
Wiley ID 776873