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3-(N-Acetylamino)-2-(E)-styrylindole
SpectraBase Compound ID FW95ESPZXD5
InChI InChI=1S/C18H16N2O/c1-13(21)19-18-15-9-5-6-10-16(15)20-17(18)12-11-14-7-3-2-4-8-14/h2-12,20H,1H3,(H,19,21)/b12-11+
InChIKey JSVJXQXYWSVUBI-VAWYXSNFSA-N
Mol Weight 276.34 g/mol
Molecular Formula C18H16N2O
Exact Mass 276.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UdPWiA4pR9
Name 3-(N-Acetylamino)-2-(E)-styrylindole
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.126263142 u
Formula C18H16N2O
InChI InChI=1S/C18H16N2O/c1-13(21)19-18-15-9-5-6-10-16(15)20-17(18)12-11-14-7-3-2-4-8-14/h2-12,20H,1H3,(H,19,21)/b12-11+
InChIKey JSVJXQXYWSVUBI-VAWYXSNFSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201702310
Molecular Weight 276.339 g/mol
Quality 185
Reported Formula C18H16ON2
SMILES N(C(C)=O)C1=C(NC2=CC=CC=C12)\C=C\C1=CC=CC=C1
SPLASH splash10-003r-0090000000-3b39ffe880c52e50577b
Source of Spectrum ACI-56-SM27-16 (DOI: 10.1002/anie.201702310)
Thin-Layer Chromatography 0.2 (cyclohexane/EtOAc, 7:3)
Wiley ID 1895910