{2-Oxo-2-[(1R,9S)-6-oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethoxy}acetic acid

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Systematic / IUPAC Name: 2-[2-Oxo-2-[(1R,9S)-6-oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethoxy]acetic acid

ID: Reference10101

Other Names: Acetic acid, 2-[2-oxo-2-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-11-phenyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethoxy]-;
NAT11-291126

Formula: C21H22N2O5

Spectral Data

{2-Oxo-2-[(1R,9S)-6-oxo-3-phenyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethoxy}acetic acid 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 760
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/27/2020 11:17:27 AM
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Identificators

InChI InChI=1S/C21H22N2O5/c24-18-7-6-17(15-4-2-1-3-5-15)21-16-8-14(10-23(18)21)9-22(11-16)19(25)12-28-13-20(26)27/h1-7,14,16H,8-13H2,(H,26,27)/t14-,16+/m0/s1
InChI Key WSKQIAHRQINPHA-GOEBONIOSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC=C4)C(=O)COCC(=O)O
CAS
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Other Names Acetic acid, 2-[2-oxo-2-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-11-phenyl-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethoxy]-;
NAT11-291126

In Other Databases

PubChem 26742298
ChemSpider 21380204