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Pimelic acid, 1-(4-bromophenyl)ethyl isobutyl ester
SpectraBase Compound ID Fw2GDpvmcjl
InChI InChI=1S/C19H27BrO4/c1-14(2)13-23-18(21)7-5-4-6-8-19(22)24-15(3)16-9-11-17(20)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3
InChIKey BBDQDILOPRXVDD-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 6Q7HIIQAmxa
Name Pimelic acid, 1-(4-bromophenyl)ethyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27BrO4
InChI InChI=1S/C19H27BrO4/c1-14(2)13-23-18(21)7-5-4-6-8-19(22)24-15(3)16-9-11-17(20)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3
InChIKey BBDQDILOPRXVDD-UHFFFAOYSA-N
Molecular Weight 399.325 g/mol
SMILES C(CCCCCC(OC(C)c1ccc(cc1)Br)=O)(OCC(C)C)=O
SPLASH splash10-0fhl-3900000000-dd2cfdcdabe60978304a
Source of Spectrum TIPS-2022-728-0
Wiley ID 1822245