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4-Methylpentyl 6-bromohexanoate
SpectraBase Compound ID 54y420CKZO4
InChI InChI=1S/C12H23BrO2/c1-11(2)7-6-10-15-12(14)8-4-3-5-9-13/h11H,3-10H2,1-2H3
InChIKey PCTVLZPGAJTWIO-UHFFFAOYSA-N
Mol Weight 279.22 g/mol
Molecular Formula C12H23BrO2
Exact Mass 278.088143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpyFMRyg0eG
Name 4-Methylpentyl 6-bromohexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23BrO2
InChI InChI=1S/C12H23BrO2/c1-11(2)7-6-10-15-12(14)8-4-3-5-9-13/h11H,3-10H2,1-2H3
InChIKey PCTVLZPGAJTWIO-UHFFFAOYSA-N
Molecular Weight 279.218 g/mol
SMILES C(Br)CCCCC(OCCCC(C)C)=O
SPLASH splash10-00pi-9400000000-c1e126f9e554eea5d31d
Source of Spectrum NP-8-7748-0
Synonyms 6-Bromohexanoic acid, 5-methylhexyl ester 6-Bromohexanoic acid 4-methylpentyl ester isohexyl 6-bromohexanoate 4-Methylpentyl 6-bromanylhexanoate
Wiley ID 1107610