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2-(2'-Bromo-5'-methoxyphenyl)-2-butylhexanoic acid

View entire compound with spectra: 1 MS (GC)

2-(2'-Bromo-5'-methoxyphenyl)-2-butylhexanoic acid
SpectraBase Compound ID 1EjAbvLOLyI
InChI InChI=1S/C17H25BrO3/c1-4-6-10-17(16(19)20,11-7-5-2)14-12-13(21-3)8-9-15(14)18/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKey SGIKUANNZFWOQC-UHFFFAOYSA-N
Mol Weight 357.29 g/mol
Molecular Formula C17H25BrO3
Exact Mass 356.098708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3C0fNG1jSZN
Name 2-(2'-Bromo-5'-methoxyphenyl)-2-butylhexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25BrO3
InChI InChI=1S/C17H25BrO3/c1-4-6-10-17(16(19)20,11-7-5-2)14-12-13(21-3)8-9-15(14)18/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKey SGIKUANNZFWOQC-UHFFFAOYSA-N
Molecular Weight 357.288 g/mol
SMILES OC(C(c1c(ccc(c1)OC)Br)(CCCC)CCCC)=O
SPLASH splash10-0006-3090000000-4c56383adeedd912c9f6
Source of Spectrum F-65-8157-13
Wiley ID 1679841