(1R,9S)-11-(2-Hydroxybenzyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-11-[(2-Hydroxyphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10073

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[(2-hydroxyphenyl)methyl]-9-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-286855

Formula: C25H23F3N2O3

Spectral Data

(1R,9S)-11-(2-Hydroxybenzyl)-5-[4-(trifluoromethoxy)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 2
No. of Spectra 2365
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/19/2020 10:19:45 AM
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Identificators

InChI InChI=1S/C25H23F3N2O3/c26-25(27,28)33-20-7-5-17(6-8-20)21-9-10-22-19-11-16(13-30(22)24(21)32)12-29(15-19)14-18-3-1-2-4-23(18)31/h1-10,16,19,31H,11-15H2/t16-,19+/m0/s1
InChI Key WXRICKVTFSKTBP-QFBILLFUSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F)CC5=CC=CC=C5O
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[(2-hydroxyphenyl)methyl]-9-[4-(trifluoromethoxy)phenyl]-, (1R,5S)-;
NAT11-286855

In Other Databases

PubChem 7674758
ChemSpider 5987988