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Phthalic acid, 2-(3-bromophenyl)ethyl propyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 2-(3-bromophenyl)ethyl propyl ester
SpectraBase Compound ID FjItMcenQeM
InChI InChI=1S/C19H19BrO4/c1-2-11-23-18(21)16-8-3-4-9-17(16)19(22)24-12-10-14-6-5-7-15(20)13-14/h3-9,13H,2,10-12H2,1H3
InChIKey AIXPXQBIGCFDQK-UHFFFAOYSA-N
Mol Weight 391.26 g/mol
Molecular Formula C19H19BrO4
Exact Mass 390.046672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HMCAHO7qqLB
Name Phthalic acid, 2-(3-bromophenyl)ethyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.046672088 u
Formula C19H19BrO4
InChI InChI=1S/C19H19BrO4/c1-2-11-23-18(21)16-8-3-4-9-17(16)19(22)24-12-10-14-6-5-7-15(20)13-14/h3-9,13H,2,10-12H2,1H3
InChIKey AIXPXQBIGCFDQK-UHFFFAOYSA-N
Molecular Weight 391.261 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC(=CC=C1)Br)=O)(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822488