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N-(3-Iodobenzyl)-3-methylaniline
SpectraBase Compound ID 3cCZ1U327Uz
InChI InChI=1S/C14H14IN/c1-11-4-2-7-14(8-11)16-10-12-5-3-6-13(15)9-12/h2-9,16H,10H2,1H3
InChIKey MAMMIXXOWMTYKE-UHFFFAOYSA-N
Mol Weight 323.18 g/mol
Molecular Formula C14H14IN
Exact Mass 323.017094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFS2FR0ilPs
Name N-(3-Iodobenzyl)-3-methylaniline
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 323.017094455 u
Formula C14H14IN
InChI InChI=1S/C14H14IN/c1-11-4-2-7-14(8-11)16-10-12-5-3-6-13(15)9-12/h2-9,16H,10H2,1H3
InChIKey MAMMIXXOWMTYKE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 323.177 g/mol
Nominal Mass 323 u
Quality 956
Retention Index 2204
SMILES C=1(NCC2=CC(=CC=C2)I)C=C(C=CC1)C
SPLASH splash10-00di-6619000000-37f666908e33dfe788f8
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028168