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3-Indoleacetonitrile

View entire compound with spectra: 8 NMR, 6 FTIR, 2 Raman, and 2 MS (GC)

3-Indoleacetonitrile
SpectraBase Compound ID AYSQiNnluif
InChI InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChIKey DMCPFOBLJMLSNX-UHFFFAOYSA-N
Mol Weight 156.19 g/mol
Molecular Formula C10H8N2
Exact Mass 156.068748 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EgaHmfdfLjK
Name 3-Indoleacetonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 129453
CAS Registry Number 771-51-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2
InChI InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
InChIKey DMCPFOBLJMLSNX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent Methanol-d4
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (3-Indolyl)acetonitrile 3-(Cyanomethyl)indole IAN Indolylacetonitrile NSC 523272
Wiley ID SIAL_13CNMR_000829