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Pimelic acid, 1-(4-bromophenyl)ethyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 1-(4-bromophenyl)ethyl 4-methylpent-2-yl ester
SpectraBase Compound ID LrI8X5glxSe
InChI InChI=1S/C21H31BrO4/c1-15(2)14-16(3)25-20(23)8-6-5-7-9-21(24)26-17(4)18-10-12-19(22)13-11-18/h10-13,15-17H,5-9,14H2,1-4H3
InChIKey RYISLLJYWYMLLR-UHFFFAOYSA-N
Mol Weight 427.38 g/mol
Molecular Formula C21H31BrO4
Exact Mass 426.140572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GahSSzLb4Fg
Name Pimelic acid, 1-(4-bromophenyl)ethyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31BrO4
InChI InChI=1S/C21H31BrO4/c1-15(2)14-16(3)25-20(23)8-6-5-7-9-21(24)26-17(4)18-10-12-19(22)13-11-18/h10-13,15-17H,5-9,14H2,1-4H3
InChIKey RYISLLJYWYMLLR-UHFFFAOYSA-N
Molecular Weight 427.379 g/mol
SMILES C(CCCCCC(OC(C)c1ccc(cc1)Br)=O)(OC(CC(C)C)C)=O
SPLASH splash10-002o-3900000000-bf4bfaf78102de50f693
Source of Spectrum TIPS-2022-731-0
Wiley ID 1822248