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Pimelic acid, 1-(4-bromophenyl)ethyl pentyl ester
SpectraBase Compound ID AS2xDaDMoIV
InChI InChI=1S/C20H29BrO4/c1-3-4-8-15-24-19(22)9-6-5-7-10-20(23)25-16(2)17-11-13-18(21)14-12-17/h11-14,16H,3-10,15H2,1-2H3
InChIKey PFEWTFYZBBTGKJ-UHFFFAOYSA-N
Mol Weight 413.35 g/mol
Molecular Formula C20H29BrO4
Exact Mass 412.124922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCTN9EuGD9b
Name Pimelic acid, 1-(4-bromophenyl)ethyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29BrO4
InChI InChI=1S/C20H29BrO4/c1-3-4-8-15-24-19(22)9-6-5-7-10-20(23)25-16(2)17-11-13-18(21)14-12-17/h11-14,16H,3-10,15H2,1-2H3
InChIKey PFEWTFYZBBTGKJ-UHFFFAOYSA-N
Molecular Weight 413.352 g/mol
SMILES C(CCCCCC(OC(C)c1ccc(cc1)Br)=O)(OCCCCC)=O
SPLASH splash10-0fac-3900000000-f6f17bcf99618112a880
Source of Spectrum TIPS-2022-730-0
Wiley ID 1822247