3-[(1R,9S)-6-Oxo-11-(2-thienylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]benzonitrile

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

ID: Reference12319

Other Names: NAT11-290200

Formula: C23H21N3OS

Spectral Data

3-[(1R,9S)-6-Oxo-11-(2-thienylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-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 965
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/2/2023 7:15:24 PM
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Identificators

InChI InChI=1S/C23H21N3OS/c24-11-16-3-1-4-18(9-16)21-6-7-22(27)26-13-17-10-19(23(21)26)14-25(12-17)15-20-5-2-8-28-20/h1-9,17,19H,10,12-15H2/t17-,19+/m0/s1
InChI Key GORPHNDCXLMGDP-PKOBYXMFSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC(=C4)C#N)CC5=CC=CS5
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Other Names NAT11-290200

In Other Databases

PubChem 9419221
ChemSpider 7704582