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2-Iodoethylbenzene
SpectraBase Compound ID AwjkQ8gaEeL
InChI InChI=1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey KVTHPKXDLVYNCH-UHFFFAOYSA-N
Mol Weight 232.06 g/mol
Molecular Formula C8H9I
Exact Mass 231.974895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8J3iqVFnruK
Name (2-Iodoethyl)benzene
CAS Registry Number 17376-04-4
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 231.974895290 u
Formula C8H9I
InChI InChI=1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey KVTHPKXDLVYNCH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 232.064 g/mol
Nominal Mass 232 u
Quality 985
Retention Index 1280
SMILES C1(=CC=CC=C1)CCI
SPLASH splash10-0a4i-5900000000-f1caec17b391312236e6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-iodoethylbenzene
Technique GC/MS
Wiley ID DD2024_005140