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2-(Hex-1-yn-1-yl)aniline
SpectraBase Compound ID C7qaUT3yzc6
InChI InChI=1S/C12H15N/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h6-7,9-10H,2-4,13H2,1H3
InChIKey CSNXIDADBPPXAP-UHFFFAOYSA-N
Mol Weight 173.26 g/mol
Molecular Formula C12H15N
Exact Mass 173.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YBeeLMsss
Name 2-(Hex-1-yn-1-yl)aniline
Appearance Yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C12H15N/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h6-7,9-10H,2-4,13H2,1H3
InChIKey CSNXIDADBPPXAP-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Quality 383
SMILES NC=1C(=CC=CC1)C#CCCCC
SPLASH splash10-008c-0900000000-143e3ef1b8e6e92b9452
Source of Spectrum ACI-61-SM38-38-1 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.39 (hexane/ethyl acetate, 10:1)
Wiley ID 1897966