For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-[2-methoxy-5-(3-oxo-3-thiophen-2-yl-propenyl)-benzyl]-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one

View entire compound with spectra: 1 MS (GC)

3-[2-methoxy-5-(3-oxo-3-thiophen-2-yl-propenyl)-benzyl]-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
SpectraBase Compound ID BbAIFrc5vKJ
InChI InChI=1S/C26H26N2O3S/c1-31-24-10-8-18(7-9-23(29)25-5-3-11-32-25)12-21(24)17-27-14-19-13-20(16-27)22-4-2-6-26(30)28(22)15-19/h2-12,19-20H,13-17H2,1H3/b9-7+/t19-,20-/m0/s1
InChIKey ZVFFNNSUFXLUOW-YSOBTRATSA-N
Mol Weight 446.57 g/mol
Molecular Formula C26H26N2O3S
Exact Mass 446.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DMAOzJlplzO
Name 3-[2-methoxy-5-(3-oxo-3-thiophen-2-yl-propenyl)-benzyl]-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
Alternate Name(s) (1S)-11-{2-methoxy-5-[(1E)-3-oxo-3-(2-thienyl)-1-propenyl]benzyl}-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-dien-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O3S
InChI InChI=1S/C26H26N2O3S/c1-31-24-10-8-18(7-9-23(29)25-5-3-11-32-25)12-21(24)17-27-14-19-13-20(16-27)22-4-2-6-26(30)28(22)15-19/h2-12,19-20H,13-17H2,1H3/b9-7+/t19-,20-/m0/s1
InChIKey ZVFFNNSUFXLUOW-YSOBTRATSA-N
Molecular Weight 446.565 g/mol
SMILES COc1c(CN2C[C@]3(CN4C([C@](C2)(C3)[H])=CC=CC4=O)[H])cc(\C=C\C(c2sccc2)=O)cc1
SPLASH splash10-000b-1910000000-74280421a0ee121b1f0e
Wiley ID 1455166