(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(tetrahydro-2H-pyran-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-5-(1-Benzothiophen-2-yl)-11-(oxan-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference10942

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-1,2,3,4,5,6-hexahydro-3-(tetrahydro-2H-pyran-4-yl)-, (1R,5S)-;
NAT11-286690

Formula: C24H26N2O2S

Spectral Data

(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(tetrahydro-2H-pyran-4-yl)-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 1942
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2021 10:20:24 AM
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Identificators

InChI InChI=1S/C24H26N2O2S/c27-24-20(23-12-17-3-1-2-4-22(17)29-23)5-6-21-18-11-16(14-26(21)24)13-25(15-18)19-7-9-28-10-8-19/h1-6,12,16,18-19H,7-11,13-15H2/t16-,18+/m0/s1
InChI Key FZOPDMKRYRAVNW-FUHWJXTLSA-N
Canonical SMILES C1COCCC1N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC6=CC=CC=C6S5
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-1,2,3,4,5,6-hexahydro-3-(tetrahydro-2H-pyran-4-yl)-, (1R,5S)-;
NAT11-286690

In Other Databases

PubChem 11911979
ChemSpider 10086302