(4aS,9aR)-7-Benzyl-2-[(4-methoxyphenyl)acetyl]decahydro-6H-pyrido[3,4-d]azepin-6-one

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

ID: Reference9361

Other Names: 6H-Pyrido[3,4-d]azepin-6-one, decahydro-2-[2-(4-methoxyphenyl)acetyl]-7-(phenylmethyl)-, (4aS,9aR)-;
NAT14-345366

Formula: C25H30N2O3

Spectral Data

(4aS,9aR)-7-Benzyl-2-[(4-methoxyphenyl)acetyl]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
No. of Spectral Trees 1
No. of Spectra 2126
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/6/2020 7:55:01 AM
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Identificators

InChI InChI=1S/C25H30N2O3/c1-30-23-9-7-19(8-10-23)15-24(28)27-13-11-21-16-25(29)26(14-12-22(21)18-27)17-20-5-3-2-4-6-20/h2-10,21-22H,11-18H2,1H3/t21-,22-/m0/s1
InChI Key SDSRPCKKZUPYDS-VXKWHMMOSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(=O)N2CCC3CC(=O)N(CCC3C2)CC4=CC=CC=C4
CAS
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Other Names 6H-Pyrido[3,4-d]azepin-6-one, decahydro-2-[2-(4-methoxyphenyl)acetyl]-7-(phenylmethyl)-, (4aS,9aR)-;
NAT14-345366

In Other Databases

ChemSpider 21384581
PubChem 26742708