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

*Links on SpectraBase are not permalinks.
di(t-Butyl) (2Z)-2-[1-(2'-Oxopropyl)isoquinolin-2(1H)-yl]but-2-enedioate
SpectraBase Compound ID CetNprOTdTh
InChI InChI=1S/C24H31NO5/c1-16(26)14-19-18-11-9-8-10-17(18)12-13-25(19)20(22(28)30-24(5,6)7)15-21(27)29-23(2,3)4/h8-13,15,19H,14H2,1-7H3/b20-15-
InChIKey ATCUBMLPAAYDMA-HKWRFOASSA-N
Mol Weight 413.51 g/mol
Molecular Formula C24H31NO5
Exact Mass 413.220223 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 K4d7mKSyRSy
Name di(t-Butyl) (2Z)-2-[1-(2'-Oxopropyl)isoquinolin-2(1H)-yl]but-2-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO5
InChI InChI=1S/C24H31NO5/c1-16(26)14-19-18-11-9-8-10-17(18)12-13-25(19)20(22(28)30-24(5,6)7)15-21(27)29-23(2,3)4/h8-13,15,19H,14H2,1-7H3/b20-15-
InChIKey ATCUBMLPAAYDMA-HKWRFOASSA-N
Molecular Weight 413.514 g/mol
SMILES C(\C=C\(N1C(c2ccccc2C=C1)CC(=O)C)C(OC(C)(C)C)=O)(OC(C)(C)C)=O
SPLASH splash10-0pbc-9052000000-fc32e27f8b358dd9c596
Source of Spectrum H-91-847-2c
Wiley ID 1693305