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N-(3-Iodobenzyl)piperidine
SpectraBase Compound ID vvNNzwkLiy
InChI InChI=1S/C12H16IN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChIKey DCRZUICHKJGHQK-UHFFFAOYSA-N
Mol Weight 301.17 g/mol
Molecular Formula C12H16IN
Exact Mass 301.032745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID hfOeDDXdY
Name N-(3-Iodobenzyl)piperidine
CAS Registry Number 859850-87-6
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 301.032744519 u
Formula C12H16IN
InChI InChI=1S/C12H16IN/c13-12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2
InChIKey DCRZUICHKJGHQK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 301.171 g/mol
Nominal Mass 301 u
Quality 980
Retention Index 1782
SMILES C=1(CN2CCCCC2)C=C(C=CC1)I
SPLASH splash10-0udi-9125000000-9d5605839097a5243b25
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Piperidine,N-(3-iodobenzyl) 1-(3-Iodobenzyl)piperidine
Technique GC/MS
Wiley ID DD2024_013472