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5-Bromovaleric acid, 3,5-dimethylphenyl ester
SpectraBase Compound ID 8KM7mSNwdV1
InChI InChI=1S/C13H17BrO2/c1-10-7-11(2)9-12(8-10)16-13(15)5-3-4-6-14/h7-9H,3-6H2,1-2H3
InChIKey AKENPROYQNLQBL-UHFFFAOYSA-N
Mol Weight 285.18 g/mol
Molecular Formula C13H17BrO2
Exact Mass 284.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2acKbnfYYf8
Name 5-Bromovaleric acid, 3,5-dimethylphenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO2
InChI InChI=1S/C13H17BrO2/c1-10-7-11(2)9-12(8-10)16-13(15)5-3-4-6-14/h7-9H,3-6H2,1-2H3
InChIKey AKENPROYQNLQBL-UHFFFAOYSA-N
Molecular Weight 285.181 g/mol
SMILES Cc1cc(C)cc(c1)OC(CCCCBr)=O
SPLASH splash10-00di-1900000000-a06cac93746822298d2a
Source of Spectrum NP-9-1423-0
Synonyms 5-Bromopentanoic acid (3,5-dimethylphenyl) ester (3,5-dimethylphenyl) 5-bromopentanoate (3,5-dimethylphenyl) 5-bromanylpentanoate
Wiley ID 1107886