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4-Methylpentyl 2-bromobenzoate

View entire compound with spectra: 1 MS (GC)

4-Methylpentyl 2-bromobenzoate
SpectraBase Compound ID IVhZElGpTM5
InChI InChI=1S/C13H17BrO2/c1-10(2)6-5-9-16-13(15)11-7-3-4-8-12(11)14/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKey WDGWPCXJEDOBDZ-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 7p9E5YG1CGD
Name 4-Methylpentyl 2-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO2
InChI InChI=1S/C13H17BrO2/c1-10(2)6-5-9-16-13(15)11-7-3-4-8-12(11)14/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKey WDGWPCXJEDOBDZ-UHFFFAOYSA-N
Molecular Weight 285.181 g/mol
SMILES c1c(c(C(OCCCC(C)C)=O)ccc1)Br
SPLASH splash10-001i-7920000000-25178946837ee71fa966
Source of Spectrum NP-9-1418-0
Synonyms 2-Bromobenzoic acid, 4-methylpentyl ester 2-Bromobenzoic acid 4-methylpentyl ester isohexyl 2-bromobenzoate 4-Methylpentyl 2-bromanylbenzoate
Wiley ID 1107885