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3-Bromobenzoic acid, octyl ester
SpectraBase Compound ID LWx6s7fvsFB
InChI InChI=1S/C15H21BrO2/c1-2-3-4-5-6-7-11-18-15(17)13-9-8-10-14(16)12-13/h8-10,12H,2-7,11H2,1H3
InChIKey JSKVLQSCAXCDBL-UHFFFAOYSA-N
Mol Weight 313.24 g/mol
Molecular Formula C15H21BrO2
Exact Mass 312.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oqBkoqpxYR
Name BENZOIC ACID, 3-BROMO-, OCTYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H21O2Br
InChI InChI=1S/C15H21BrO2/c1-2-3-4-5-6-7-11-18-15(17)13-9-8-10-14(16)12-13/h8-10,12H,2-7,11H2,1H3
InChIKey JSKVLQSCAXCDBL-UHFFFAOYSA-N
Molecular Weight 312.0719
SMILES c1c(Br)cc(C(OCCCCCCCC)=O)cc1
SPLASH splash10-0zfr-9320000000-9d1019ca579799695ff5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany