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

*Links on SpectraBase are not permalinks.
4-Azocinecarboxylic acid, 1,8-dihydro-3-(3-methyl-1-oxo-2-butenyl)-1-(2-phenylethenyl)-, ethyl ester
SpectraBase Compound ID EL5ff7gKspW
InChI InChI=1S/C23H25NO3/c1-4-27-23(26)20-12-8-9-14-24(15-13-19-10-6-5-7-11-19)17-21(20)22(25)16-18(2)3/h5-13,15-17H,4,14H2,1-3H3/b9-8-,15-13+,20-12+,21-17+
InChIKey JBKMUNRNIHSOMT-GEQBCWKJSA-N
Mol Weight 363.46 g/mol
Molecular Formula C23H25NO3
Exact Mass 363.183444 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 dvL8ex3Xer
Name 4-Azocinecarboxylic acid, 1,8-dihydro-3-(3-methyl-1-oxo-2-butenyl)-1-(2-phenylethenyl)-, ethyl ester
CAS Registry Number 83253-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO3
InChI InChI=1S/C23H25NO3/c1-4-27-23(26)20-12-8-9-14-24(15-13-19-10-6-5-7-11-19)17-21(20)22(25)16-18(2)3/h5-13,15-17H,4,14H2,1-3H3/b9-8-,15-13+,20-12+,21-17+
InChIKey JBKMUNRNIHSOMT-GEQBCWKJSA-N
Molecular Weight 363.457 g/mol
SMILES C(\C=1\C(=C/N(C\C=C/C/1)\C=C\c1ccccc1)C(C=C(C)C)=O)(=O)OCC
SPLASH splash10-001i-9130000000-15150ad2eda9e7dc610e
Source of Spectrum F-38-1587-0
Synonyms 1-Styryl-4-carboethoxy-3-(3,3-dimethylacrylo-[1-yl])-1,8-dihydroazocine Ethyl 3-(3-methyl-2-butenoyl)-1-[(E)-2-phenylethenyl]-1,8-dihydro-4-azocinecarboxylate
Wiley ID 1350345