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3-Ethenyl-1,2,3,6,11,11a-hexahydro-8,9-dimethoxybenzo[d]pyrrolo[1,2-a]azepin-5-one
SpectraBase Compound ID KLLUTzsjBWt
InChI InChI=1S/C17H21NO3/c1-4-12-13-10-16(21-3)15(20-2)8-11(13)9-17(19)18-7-5-6-14(12)18/h4,8,10,12,14H,1,5-7,9H2,2-3H3/t12-,14+/m1/s1
InChIKey PPQUPJPQTXKZAN-OCCSQVGLSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpiZmijpo
Name 3-Ethenyl-1,2,3,6,11,11a-hexahydro-8,9-dimethoxybenzo[d]pyrrolo[1,2-a]azepin-5-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-4-12-13-10-16(21-3)15(20-2)8-11(13)9-17(19)18-7-5-6-14(12)18/h4,8,10,12,14H,1,5-7,9H2,2-3H3/t12-,14+/m1/s1
InChIKey PPQUPJPQTXKZAN-OCCSQVGLSA-N
Molecular Weight 287.359 g/mol
SMILES C1(N2[C@]([C@@](c3cc(c(cc3C1)OC)OC)(C=C)[H])(CCC2)[H])=O
SPLASH splash10-00tf-3930000000-907235fd9f0a253b5f12
Source of Spectrum U-1997-1412-24
Synonyms (11R,11aS)-11-Ethenyl-1,2,3,6,11,11a-hexahydro-8,9-dimethoxybenzo[d]pyrrolo[1,2-a]azepin-5-one 8,9-Dimethoxy-3-vinyl-1,2,3,6,11,11a-hexahydro-5H-pyrrolo[2,1-b][3]benzazepin-5-one (11R,11aS)-11-ethenyl-8,9-dimethoxy-1,2,3,6,11,11a-hexahydropyrrolo[2,1-b][3]benzazepin-5-one
Wiley ID 769771