3-[(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

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Systematic / IUPAC Name: 3-[(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile

ID: Reference9938

Other Names: Benzonitrile, 3-[(1R,5S)-3-(2-benzofuranylmethyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287205

Formula: C27H23N3O2

Spectral Data

3-[(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 388
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 9/17/2020 10:14:24 AM
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Identificators

InChI InChI=1S/C27H23N3O2/c28-13-18-4-3-6-20(10-18)24-8-9-25-22-11-19(15-30(25)27(24)31)14-29(16-22)17-23-12-21-5-1-2-7-26(21)32-23/h1-10,12,19,22H,11,14-17H2/t19-,22+/m0/s1
InChI Key WYFITHYNDGARDU-SIKLNZKXSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=CC(=C4)C#N)CC5=CC6=CC=CC=C6O5
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Other Names Benzonitrile, 3-[(1R,5S)-3-(2-benzofuranylmethyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-287205

In Other Databases

ChemSpider 5987343
PubChem 7673849