(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(4-methoxybenzyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-5-[(E)-2-(4-Chlorophenyl)ethenyl]-11-[(4-methoxyphenyl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference12231

Other Names: NAT11-287151

Formula: C27H27ClN2O2

Spectral Data

(1R,9S)-5-[(E)-2-(4-Chlorophenyl)vinyl]-11-(4-methoxybenzyl)-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 1
No. of Spectra 935
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/9/2023 8:58:04 PM
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Identificators

InChI InChI=1S/C27H27ClN2O2/c1-32-25-11-5-20(6-12-25)15-29-16-21-14-23(18-29)26-13-8-22(27(31)30(26)17-21)7-2-19-3-9-24(28)10-4-19/h2-13,21,23H,14-18H2,1H3/b7-2+/t21-,23+/m0/s1
InChI Key FRQDQLLIVUGFFV-SWMXQXAPSA-N
Canonical SMILES COC1=CC=C(C=C1)CN2CC3CC(C2)C4=CC=C(C(=O)N4C3)C=CC5=CC=C(C=C5)Cl
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Other Names NAT11-287151

In Other Databases

ChemSpider 5484824
PubChem 7144071