(4aS,9aR)-7-[2-(2,3-Dimethoxyphenyl)ethyl]-2-(methoxyacetyl)decahydro-6H-pyrido[3,4-d]azepin-6-one

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Systematic / IUPAC Name: (4aS,9aR)-7-[2-(2,3-Dimethoxyphenyl)ethyl]-2-(2-methoxyacetyl)-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one

ID: Reference9228

Other Names: 6H-Pyrido[3,4-d]azepin-6-one, 7-[2-(2,3-dimethoxyphenyl)ethyl]decahydro-2-(2-methoxyacetyl)-, (4aS,9aR)-;
NAT14-262441

Formula: C22H32N2O5

Spectral Data

(4aS,9aR)-7-[2-(2,3-Dimethoxyphenyl)ethyl]-2-(methoxyacetyl)decahydro-6H-pyrido[3,4-d]azepin-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 942
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2019 10:06:01 AM
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Identificators

InChI InChI=1S/C22H32N2O5/c1-27-15-21(26)24-12-8-17-13-20(25)23(11-9-18(17)14-24)10-7-16-5-4-6-19(28-2)22(16)29-3/h4-6,17-18H,7-15H2,1-3H3/t17-,18-/m0/s1
InChI Key UVMXVKDGSLONNS-ROUUACIJSA-N
Canonical SMILES COCC(=O)N1CCC2CC(=O)N(CCC2C1)CCC3=C(C(=CC=C3)OC)OC
CAS
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Other Names 6H-Pyrido[3,4-d]azepin-6-one, 7-[2-(2,3-dimethoxyphenyl)ethyl]decahydro-2-(2-methoxyacetyl)-, (4aS,9aR)-;
NAT14-262441

In Other Databases

PubChem 26742544
ChemSpider 21382148