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4,7-Dibromo-4-methylheptyl benzoate

View entire compound with spectra: 1 MS (GC)

4,7-Dibromo-4-methylheptyl benzoate
SpectraBase Compound ID H6EG26TJ1L3
InChI InChI=1S/C15H20Br2O2/c1-15(17,9-5-11-16)10-6-12-19-14(18)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey FRKVANMUZVMAPM-UHFFFAOYSA-N
Mol Weight 392.13 g/mol
Molecular Formula C15H20Br2O2
Exact Mass 389.983006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68xB0SnNsLo
Name 4,7-Dibromo-4-methylheptyl benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20Br2O2
InChI InChI=1S/C15H20Br2O2/c1-15(17,9-5-11-16)10-6-12-19-14(18)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey FRKVANMUZVMAPM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 392.131 g/mol
Quality 178
Reported Formula C15H20Br2O2
SMILES C(CCCOC(C1=CC=CC=C1)=O)(CCCBr)(C)Br
SPLASH splash10-0a4i-4900000000-476453e6d2fe6c07cdc9
Source of Spectrum ACI-56-SM15-5e (DOI: 10.1002/anie.201708197)
Wiley ID 1896565