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4-Bromo-4-methylhexyl benzoate
SpectraBase Compound ID 4m8RJ6PcKLF
InChI InChI=1S/C14H19BrO2/c1-3-14(2,15)10-7-11-17-13(16)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKey RYLMVFVVXOKYGS-UHFFFAOYSA-N
Mol Weight 299.21 g/mol
Molecular Formula C14H19BrO2
Exact Mass 298.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1h0mgj2eT80
Name 4-Bromo-4-methylhexyl benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.056842850 u
Formula C14H19BrO2
InChI InChI=1S/C14H19BrO2/c1-3-14(2,15)10-7-11-17-13(16)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11H2,1-2H3
InChIKey RYLMVFVVXOKYGS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Quality 174
Reported Formula C14H19O2Br
SMILES C(C(Br)(C)CC)CCOC(C1=CC=CC=C1)=O
SPLASH splash10-0a4j-9300000000-7602543339e96cc8bd96
Source of Spectrum ACI-56-SM8-Br-1o (DOI: 10.1002/anie.201708197)
Wiley ID 1896582