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5-IAI
SpectraBase Compound ID D4hje2AAyeW
InChI InChI=1S/C9H10IN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
InChIKey BIHPYCDDPGNWQO-UHFFFAOYSA-N
Mol Weight 259.09 g/mol
Molecular Formula C9H10IN
Exact Mass 258.985794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MY27zmbBi1
Name 5-IAI
Classification Designer drug
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 258.985794326 u
Formula C9H10NI
InChI InChI=1S/C9H10IN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
InChIKey BIHPYCDDPGNWQO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 259.090 g/mol
SMILES c1c(cc2CC(Cc2c1)N)I
SPLASH splash10-0a4i-3790000000-f65a3bb77234c5f24f09
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 5-Iodo-2,3-dihydro-1H-inden-2-amine
Technique GC/MS
Wiley ID MMPW6e_8702