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3-Bromo-3-methylbutyl 4-oxo-4-phenylbutanoate
SpectraBase Compound ID 8k5nFyExvRh
InChI InChI=1S/C15H19BrO3/c1-15(2,16)10-11-19-14(18)9-8-13(17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey PMYBZEBUDJEOBS-UHFFFAOYSA-N
Mol Weight 327.22 g/mol
Molecular Formula C15H19BrO3
Exact Mass 326.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ivz4lV01qdo
Name 3-Bromo-3-methylbutyl 4-oxo-4-phenylbutanoate
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.051757469 u
Formula C15H19BrO3
InChI InChI=1S/C15H19BrO3/c1-15(2,16)10-11-19-14(18)9-8-13(17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey PMYBZEBUDJEOBS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 327.218 g/mol
Quality 121
Reported Formula C15H19O3Br
SMILES C(C(Br)(C)C)COC(=O)CCC(C1=CC=CC=C1)=O
SPLASH splash10-0a4i-3900000000-a58db044ea35449e91bc
Source of Spectrum ACI-56-SM7-Br-1k (DOI: 10.1002/anie.201708197)
Wiley ID 1896580