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5-(Cyclohexylethynyl)-1H-indole
SpectraBase Compound ID KPCXQFWlEeQ
InChI InChI=1S/C16H17N/c1-2-4-13(5-3-1)6-7-14-8-9-16-15(12-14)10-11-17-16/h8-13,17H,1-5H2
InChIKey VBOKYUQTJSSOHP-UHFFFAOYSA-N
Mol Weight 223.32 g/mol
Molecular Formula C16H17N
Exact Mass 223.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lc7Lg4ixATh
Name 5-(Cyclohexylethynyl)-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.136099551 u
Formula C16H17N
InChI InChI=1S/C16H17N/c1-2-4-13(5-3-1)6-7-14-8-9-16-15(12-14)10-11-17-16/h8-13,17H,1-5H2
InChIKey VBOKYUQTJSSOHP-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890 or 5890 Series II
Ionization Type EI
Literature Reference DOI 10.1002/anie.201704400
Molecular Weight 223.319 g/mol
Quality 24
Reported Formula C16H17N
SMILES N1C=CC=2C1=CC=C(C2)C#CC1CCCCC1
SPLASH splash10-007p-0930000000-a2c705d7a565e2cde679
Source of Spectrum ACI-56-SM11-6d (DOI: 10.1002/anie.201704400)
Wiley ID 1896190