4-Fluoro-N-[(1R,9S)-6-oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

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

ID: Reference10976

Other Names: NAT11-275485

Formula: C27H28FN3O2

Spectral Data

4-Fluoro-N-[(1R,9S)-6-oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide 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 1257
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/28/2021 5:15:15 PM
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Identificators

InChI InChI=1S/C27H28FN3O2/c28-23-10-8-21(9-11-23)26(32)29-24-12-13-25-22-15-20(17-31(25)27(24)33)16-30(18-22)14-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-13,20,22H,4,7,14-18H2,(H,29,32)/t20-,22+/m0/s1
InChI Key XJUNBSLBWAGXKY-RBBKRZOGSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)F)CCCC5=CC=CC=C5
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Other Names NAT11-275485

In Other Databases

ChemSpider 5484492
PubChem 7142808