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2-Bromo-1-phenylethyl 2-iodobenzoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Bromo-1-phenylethyl 2-iodobenzoate
SpectraBase Compound ID 2Pgrbm10cWE
InChI InChI=1S/C15H12BrIO2/c16-10-14(11-6-2-1-3-7-11)19-15(18)12-8-4-5-9-13(12)17/h1-9,14H,10H2
InChIKey MQDUOVYSGPBSHD-UHFFFAOYSA-N
Mol Weight 431.07 g/mol
Molecular Formula C15H12BrIO2
Exact Mass 429.906538 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 34ezVe3tby7
Name 2-Bromo-1-phenylethyl 2-iodobenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.906537624 u
Formula C15H12BrIO2
InChI InChI=1S/C15H12BrIO2/c16-10-14(11-6-2-1-3-7-11)19-15(18)12-8-4-5-9-13(12)17/h1-9,14H,10H2
InChIKey MQDUOVYSGPBSHD-UHFFFAOYSA-N
Molecular Weight 431.067 g/mol
SMILES C(C=1C(=CC=CC1)I)(=O)OC(CBr)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910709