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Pimelic acid, 1-(4-bromophenyl)ethyl butyl ester
SpectraBase Compound ID 3RUaD6LSMW1
InChI InChI=1S/C19H27BrO4/c1-3-4-14-23-18(21)8-6-5-7-9-19(22)24-15(2)16-10-12-17(20)13-11-16/h10-13,15H,3-9,14H2,1-2H3
InChIKey KULGOEZCCPDSTR-UHFFFAOYSA-N
Mol Weight 399.33 g/mol
Molecular Formula C19H27BrO4
Exact Mass 398.109272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDf2QOj5zlY
Name Pimelic acid, 1-(4-bromophenyl)ethyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27BrO4
InChI InChI=1S/C19H27BrO4/c1-3-4-14-23-18(21)8-6-5-7-9-19(22)24-15(2)16-10-12-17(20)13-11-16/h10-13,15H,3-9,14H2,1-2H3
InChIKey KULGOEZCCPDSTR-UHFFFAOYSA-N
Molecular Weight 399.325 g/mol
SMILES C(CCCCCC(OC(C)c1ccc(cc1)Br)=O)(OCCCC)=O
SPLASH splash10-0fhl-3900000000-dd2cfdcdabe60978304a
Source of Spectrum TIPS-2022-729-0
Wiley ID 1822246