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

*Links on SpectraBase are not permalinks.
3-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-2-(4-methoxybenzyl)isoindolin-1-one
SpectraBase Compound ID 5XmiiRi4BYv
InChI InChI=1S/C24H25NO4/c1-24(2)12-19(26)21(20(27)13-24)22-17-6-4-5-7-18(17)23(28)25(22)14-15-8-10-16(29-3)11-9-15/h4-11,22,26H,12-14H2,1-3H3
InChIKey SPDBGIGPWJHFII-UHFFFAOYSA-N
Mol Weight 391.47 g/mol
Molecular Formula C24H25NO4
Exact Mass 391.178358 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 8k0ONzjZkin
Name 3-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-2-(4-methoxybenzyl)isoindolin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO4
InChI InChI=1S/C24H25NO4/c1-24(2)12-19(26)21(20(27)13-24)22-17-6-4-5-7-18(17)23(28)25(22)14-15-8-10-16(29-3)11-9-15/h4-11,22,26H,12-14H2,1-3H3
InChIKey SPDBGIGPWJHFII-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tetlet.2015.06.020
Molecular Weight 391.467 g/mol
SMILES OC1=C(C(CC(C1)(C)C)=O)C1N(C(c2ccccc12)=O)Cc1ccc(cc1)OC
SPLASH splash10-00di-1921000000-9d6770aba7bdb1fd51b7
Source of Spectrum Mehdi Adib, et al. Tetrahedron Letters, 10.1016/j.tetlet.2015.06.020
Synonyms 3-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-2-(4-methoxybenzyl)isoindolin-1-one
Wiley ID 1815282