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5-Acetyl-7,7-dimethyl-1-(4-methoxyphenyl)-2-phenyl-4,6,7,8(5H)-tetrahydropyrrole[3,2-c]-azepine

View entire compound with spectra: 1 MS (GC)

5-Acetyl-7,7-dimethyl-1-(4-methoxyphenyl)-2-phenyl-4,6,7,8(5H)-tetrahydropyrrole[3,2-c]-azepine
SpectraBase Compound ID E52ssQA5L5K
InChI InChI=1S/C25H28N2O2/c1-18(28)26-16-20-14-23(19-8-6-5-7-9-19)27(24(20)15-25(2,3)17-26)21-10-12-22(29-4)13-11-21/h5-14H,15-17H2,1-4H3
InChIKey IJGFOPJOMMWCPH-UHFFFAOYSA-N
Mol Weight 388.51 g/mol
Molecular Formula C25H28N2O2
Exact Mass 388.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85ArU7ubiSk
Name 5-Acetyl-7,7-dimethyl-1-(4-methoxyphenyl)-2-phenyl-4,6,7,8(5H)-tetrahydropyrrole[3,2-c]-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O2
InChI InChI=1S/C25H28N2O2/c1-18(28)26-16-20-14-23(19-8-6-5-7-9-19)27(24(20)15-25(2,3)17-26)21-10-12-22(29-4)13-11-21/h5-14H,15-17H2,1-4H3
InChIKey IJGFOPJOMMWCPH-UHFFFAOYSA-N
Molecular Weight 388.511 g/mol
SMILES c12[n](c(-c3ccccc3)cc1CN(C(=O)C)CC(C2)(C)C)-c1ccc(cc1)OC
SPLASH splash10-00p0-0069000000-119235e1ac8d09eb3f5c
Source of Spectrum HC-21-50-0
Synonyms 4-(5-acetyl-7,7-dimethyl-2-phenyl-5,6,7,8-tetrahydropyrrolo[3,2-c]azepin-1(4H)-yl)phenyl methyl ether 5-Acetyl-1-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-1,4,5,6,7,8-hexahydropyrrolo[3,2-c]azepine
Wiley ID 1364098