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

*Links on SpectraBase are not permalinks.
diethyl 6-(cyclohexylmethyl)-7-oxo-4,4a,5,7a-tetrahydrofuro[2,3-f]isoindole-8,8-dicarboxylate
SpectraBase Compound ID ASGAnOApk0g
InChI InChI=1S/C23H31NO6/c1-3-28-21(26)23(22(27)29-4-2)18-17(12-16-10-11-30-19(16)23)14-24(20(18)25)13-15-8-6-5-7-9-15/h10-11,15,17-18H,3-9,12-14H2,1-2H3/t17-,18+/m1/s1
InChIKey DWCQQSWELQOERC-MSOLQXFVSA-N
Mol Weight 417.5 g/mol
Molecular Formula C23H31NO6
Exact Mass 417.215138 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 4N00tWErjDE
Name diethyl 6-(cyclohexylmethyl)-7-oxo-4,4a,5,7a-tetrahydrofuro[2,3-f]isoindole-8,8-dicarboxylate
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO6
InChI InChI=1S/C23H31NO6/c1-3-28-21(26)23(22(27)29-4-2)18-17(12-16-10-11-30-19(16)23)14-24(20(18)25)13-15-8-6-5-7-9-15/h10-11,15,17-18H,3-9,12-14H2,1-2H3/t17-,18+/m1/s1
InChIKey DWCQQSWELQOERC-MSOLQXFVSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3665
Molecular Weight 417.502 g/mol
Reported Formula C23H31NO6
SMILES [C@]12(C(c3c(C[C@@]2(CN(C1=O)CC1CCCCC1)[H])cco3)(C(OCC)=O)C(OCC)=O)[H]
SPLASH splash10-0a4r-9008300000-17f76edf35cb4b388327
Source of Spectrum Y-56-2601-7b
Thin-Layer Chromatography Rf = 0.6 (hexane/ether 1:8)
Wiley ID 1859653