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

*Links on SpectraBase are not permalinks.

Diethylmalonic acid, 2-methylthiophenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methylthiophenyl nonyl ester
SpectraBase Compound ID 8TW545Nk9gu
InChI InChI=1S/C23H36O4S/c1-5-8-9-10-11-12-15-18-26-21(24)23(6-2,7-3)22(25)27-19-16-13-14-17-20(19)28-4/h13-14,16-17H,5-12,15,18H2,1-4H3
InChIKey ZOMSKPCGXGZNIL-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C23H36O4S
Exact Mass 408.233431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9ZK4G1Wo2ZI
Name Diethylmalonic acid, 2-methylthiophenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.233430809 u
Formula C23H36O4S
InChI InChI=1S/C23H36O4S/c1-5-8-9-10-11-12-15-18-26-21(24)23(6-2,7-3)22(25)27-19-16-13-14-17-20(19)28-4/h13-14,16-17H,5-12,15,18H2,1-4H3
InChIKey ZOMSKPCGXGZNIL-UHFFFAOYSA-N
Molecular Weight 408.597 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)SC)=O)CC)C