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4-Bromo-4-ethylhexyl benzoate

View entire compound with spectra: 1 MS (GC)

4-Bromo-4-ethylhexyl benzoate
SpectraBase Compound ID 8eaf71MrQzX
InChI InChI=1S/C15H21BrO2/c1-3-15(16,4-2)11-8-12-18-14(17)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKey JILYZZREBXYNNT-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C15H21BrO2
Exact Mass 312.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5231w4lwg8e
Name 4-Bromo-4-ethylhexyl benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.072492914 u
Formula C15H21BrO2
InChI InChI=1S/C15H21BrO2/c1-3-15(16,4-2)11-8-12-18-14(17)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKey JILYZZREBXYNNT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 313.235 g/mol
Quality 201
Reported Formula C15H21O2Br
SMILES C(C(Br)(CC)CC)CCOC(C1=CC=CC=C1)=O
SPLASH splash10-0cdi-9800000000-987d364d0237f6a8dc05
Source of Spectrum ACI-56-SM8-Br-1p (DOI: 10.1002/anie.201708197)
Wiley ID 1896583