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8-Bromocaprylic acid methyl ester
SpectraBase Compound ID Esc70MGO5fS
InChI InChI=1S/C9H17BrO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8H2,1H3
InChIKey IZIJRYNUYQXBPG-UHFFFAOYSA-N
Mol Weight 237.14 g/mol
Molecular Formula C9H17BrO2
Exact Mass 236.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CsyRchx0if
Name 8-Bromocaprylic acid methyl ester
Alternate Name(s) 8-Bromooctanoic acid methyl ester Methyl 8-bromanyloctanoate Methyl 8-bromooctanoate
CAS Registry Number 26825-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17BrO2
InChI InChI=1S/C9H17BrO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8H2,1H3
InChIKey IZIJRYNUYQXBPG-UHFFFAOYSA-N
Molecular Weight 237.137 g/mol
SMILES C(=O)(OC)CCCCCCCBr
SPLASH splash10-003r-9000000000-d4355adedd6bea9c8600
Source of Spectrum EP-5361-0-0
Wiley ID 1237582