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2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate
SpectraBase Compound ID 62JAMTLIxLb
InChI InChI=1S/C23H27BrO4/c1-2-3-4-5-6-7-16-27-21-14-10-19(11-15-21)23(26)28-17-22(25)18-8-12-20(24)13-9-18/h8-15H,2-7,16-17H2,1H3
InChIKey HKGNEWRMTNSEIB-UHFFFAOYSA-N
Mol Weight 447.37 g/mol
Molecular Formula C23H27BrO4
Exact Mass 446.109272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Z7UlJx4u0b
Name 2-(4-Bromophenyl)-2-oxoethyl 4-(octyloxy)benzoate
Alternate Name(s) Benzoic acid, 4-octyloxy-, 2-(4-bromophenyl)-2-oxoethyl ester 4-Octoxybenzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester [2-(4-bromophenyl)-2-oxoethyl] 4-octoxybenzoate [2-(4-bromophenyl)-2-oxo-ethyl] 4-octoxybenzoate [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-octoxybenzoate
CAS Registry Number 345992-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27BrO4
InChI InChI=1S/C23H27BrO4/c1-2-3-4-5-6-7-16-27-21-14-10-19(11-15-21)23(26)28-17-22(25)18-8-12-20(24)13-9-18/h8-15H,2-7,16-17H2,1H3
InChIKey HKGNEWRMTNSEIB-UHFFFAOYSA-N
Molecular Weight 447.369 g/mol
SMILES C(OCC(c1ccc(cc1)Br)=O)(c1ccc(cc1)OCCCCCCCC)=O
SPLASH splash10-008c-9830000000-f1c2c3043876093ee888
Source of Spectrum AD-0-2532-0
Wiley ID 1419786