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methyl 2-acetamido-3-[6-(1-cyanoethyl)-1H-indol-3-yl]propanoate
SpectraBase Compound ID 3LifKaqLXQF
InChI InChI=1S/C17H19N3O3/c1-10(8-18)12-4-5-14-13(9-19-15(14)6-12)7-16(17(22)23-3)20-11(2)21/h4-6,9-10,16,19H,7H2,1-3H3,(H,20,21)
InChIKey JARJXSWZQKKLRE-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C17H19N3O3
Exact Mass 313.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4kK32O3VTV
Name methyl 2-acetamido-3-[6-(1-cyanoethyl)-1H-indol-3-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O3
InChI InChI=1S/C17H19N3O3/c1-10(8-18)12-4-5-14-13(9-19-15(14)6-12)7-16(17(22)23-3)20-11(2)21/h4-6,9-10,16,19H,7H2,1-3H3,(H,20,21)
InChIKey JARJXSWZQKKLRE-UHFFFAOYSA-N
Instrument Name VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1016/S1044-0305(02)00623-2
Molecular Weight 313.357 g/mol
SMILES [nH]1cc(CC(C(OC)=O)NC(C)=O)c2ccc(cc12)C(C)C#N
SPLASH splash10-001i-0920000000-c7525f4c5564fd9b9462
Source of Spectrum A7-13-1299-1299-3
Wiley ID 1843785