(1R,9S)-11-(3-Methoxypropanoyl)-3-(2-thienyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-11-(3-Methoxypropanoyl)-3-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference8860

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-(3-methoxy-1-oxopropyl)-11-(2-thienyl)-, (1R,5S)-;
NAT11-287734

Formula: C19H22N2O3S

Spectral Data

(1R,9S)-11-(3-Methoxypropanoyl)-3-(2-thienyl)-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1528
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 8/16/2019 7:22:32 AM
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Identificators

InChI InChI=1S/C19H22N2O3S/c1-24-7-6-17(22)20-10-13-9-14(12-20)19-15(16-3-2-8-25-16)4-5-18(23)21(19)11-13/h2-5,8,13-14H,6-7,9-12H2,1H3/t13-,14+/m0/s1
InChI Key AKIIPZPHHNJELP-UONOGXRCSA-N
Canonical SMILES COCCC(=O)N1CC2CC(C1)C3=C(C=CC(=O)N3C2)C4=CC=CS4
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-(3-methoxy-1-oxopropyl)-11-(2-thienyl)-, (1R,5S)-;
NAT11-287734

In Other Databases

PubChem 7685235
ChemSpider 5997624