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(S)-methyl-2-methyl-2-(p-bromobenzyl)-4-oxopentanoate
SpectraBase Compound ID LBfrLzN6c9l
InChI InChI=1S/C14H17BrO3/c1-10(16)8-14(2,13(17)18-3)9-11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3/t14-/m1/s1
InChIKey QXNVXSISFFONDP-CQSZACIVSA-N
Mol Weight 313.19 g/mol
Molecular Formula C14H17BrO3
Exact Mass 312.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vWq2ePcbtY
Name (S)-methyl-2-methyl-2-(p-bromobenzyl)-4-oxopentanoate
CAS Registry Number 126062-93-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17BrO3
InChI InChI=1S/C14H17BrO3/c1-10(16)8-14(2,13(17)18-3)9-11-4-6-12(15)7-5-11/h4-7H,8-9H2,1-3H3/t14-/m1/s1
InChIKey QXNVXSISFFONDP-CQSZACIVSA-N
Molecular Weight 313.191 g/mol
SMILES [C@](C(=O)OC)(CC(=O)C)(Cc1ccc(cc1)Br)C
SPLASH splash10-0pi0-0290000000-5ac7abf0b4a94d9a51d1
Source of Spectrum J-55-3142-8
Synonyms Methyl (2S)-2-(4-bromobenzyl)-2-methyl-4-oxopentanoate
Wiley ID 1312947