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1-Butyl-5-iodoindole
SpectraBase Compound ID 3DCsG3fQKX5
InChI InChI=1S/C12H14IN/c1-2-3-7-14-8-6-10-9-11(13)4-5-12(10)14/h4-6,8-9H,2-3,7H2,1H3
InChIKey LSJZLSPHQNMMMM-UHFFFAOYSA-N
Mol Weight 299.16 g/mol
Molecular Formula C12H14IN
Exact Mass 299.017094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlKffiSEBLk
Name 1-Butyl-5-iodoindole
Classification Pharmaceutical drug intermediate
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 299.017094455 u
Formula C12H14IN
InChI InChI=1S/C12H14IN/c1-2-3-7-14-8-6-10-9-11(13)4-5-12(10)14/h4-6,8-9H,2-3,7H2,1H3
InChIKey LSJZLSPHQNMMMM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 299.155 g/mol
Nominal Mass 299 u
Quality 957
Retention Index 1975
SMILES C1=2C(=CC(=CC2)I)C=CN1CCCC
SPLASH splash10-0a6s-6970000000-98170e4bdca83192a186
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Indole,1-butyl-5-iodo 1-Butyl-5-iodo-1H-indole
Technique GC/MS
Wiley ID DD2024_017186