(1R,9S)-5-(1-Benzothiophen-2-yl)-11-{[5-(hydroxymethyl)-2-furyl]methyl}-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-[[5-(hydroxymethyl)furan-2-yl]methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference11012

Other Names: NAT11-286689

Formula: C25H24N2O3S

Spectral Data

(1R,9S)-5-(1-Benzothiophen-2-yl)-11-{[5-(hydroxymethyl)-2-furyl]methyl}-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 1399
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/12/2021 9:39:02 AM
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Identificators

InChI InChI=1S/C25H24N2O3S/c28-15-20-6-5-19(30-20)14-26-11-16-9-18(13-26)22-8-7-21(25(29)27(22)12-16)24-10-17-3-1-2-4-23(17)31-24/h1-8,10,16,18,28H,9,11-15H2/t16-,18+/m0/s1
InChI Key VPPAIKUIYGKQFD-FUHWJXTLSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5S4)CC6=CC=C(O6)CO
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Other Names NAT11-286689

In Other Databases

ChemSpider 10086300
PubChem 11911977