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5H-Pyrrolo[1,2-a]azepine-1-carbonitrile, 2-amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-
SpectraBase Compound ID 8WlfPCyKdbu
InChI InChI=1S/C19H21N3O3/c1-24-15-8-7-12(10-16(15)25-2)19(23)18-17(21)13(11-20)14-6-4-3-5-9-22(14)18/h7-8,10H,3-6,9,21H2,1-2H3
InChIKey XXNNCWNLZSLSPA-UHFFFAOYSA-N
Mol Weight 339.4 g/mol
Molecular Formula C19H21N3O3
Exact Mass 339.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cvw2cGPxIgS
Name 5H-Pyrrolo[1,2-a]azepine-1-carbonitrile, 2-amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O3
InChI InChI=1S/C19H21N3O3/c1-24-15-8-7-12(10-16(15)25-2)19(23)18-17(21)13(11-20)14-6-4-3-5-9-22(14)18/h7-8,10H,3-6,9,21H2,1-2H3
InChIKey XXNNCWNLZSLSPA-UHFFFAOYSA-N
Molecular Weight 339.395 g/mol
SMILES Nc1c(C#N)c2[n](c1C(c1cc(OC)c(cc1)OC)=O)CCCCC2
SPLASH splash10-000i-4739000000-d3002ba1fe18860e3aec
Source of Spectrum IY-2-4832-1
Synonyms 2-Amino-3-[(3,4-dimethoxyphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile 2-Amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile 2-Azanyl-3-(3,4-dimethoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Wiley ID 1656304