(1R,9S)-11-Benzyl-5-{2-[(dimethylamino)methyl]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-Benzyl-5-[2-[(dimethylamino)methyl]phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference13106

Other Names: NAT11-286982

Formula: C27H31N3O

Spectral Data

(1R,9S)-11-Benzyl-5-{2-[(dimethylamino)methyl]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 1
No. of Spectra 719
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/15/2024 8:24:38 AM
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Identificators

InChI InChI=1S/C27H31N3O/c1-28(2)18-22-10-6-7-11-24(22)25-12-13-26-23-14-21(17-30(26)27(25)31)16-29(19-23)15-20-8-4-3-5-9-20/h3-13,21,23H,14-19H2,1-2H3/t21-,23+/m0/s1
InChI Key AMBGVWFHGMEKGZ-JTHBVZDNSA-N
Canonical SMILES CN(C)CC1=CC=CC=C1C2=CC=C3C4CC(CN(C4)CC5=CC=CC=C5)CN3C2=O
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Other Names NAT11-286982

In Other Databases

ChemSpider 10059667
PubChem 11885339