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

*Links on SpectraBase are not permalinks.

2-Furancarboxylic acid, 5-methyl-4-[(nonadecylthio)methyl]-

View entire compound with spectra: 2 NMR

2-Furancarboxylic acid, 5-methyl-4-[(nonadecylthio)methyl]-
SpectraBase Compound ID 2A5B5a6e2Zv
InChI InChI=1S/C26H46O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-22-24-21-25(26(27)28)29-23(24)2/h21H,3-20,22H2,1-2H3,(H,27,28)
InChIKey FATUCJRMKPEHEJ-UHFFFAOYSA-N
Mol Weight 438.7 g/mol
Molecular Formula C26H46O3S
Exact Mass 438.316767 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 173XktmbOAt
Name 2-Furancarboxylic acid, 5-methyl-4-[(nonadecylthio)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.316766512 u
Formula C26H46O3S
InChI InChI=1S/C26H46O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-22-24-21-25(26(27)28)29-23(24)2/h21H,3-20,22H2,1-2H3,(H,27,28)
InChIKey FATUCJRMKPEHEJ-UHFFFAOYSA-N
Molecular Weight 438.711 g/mol
SMILES OC(C=1OC(C)=C(C1)CSCCCCCCCCCCCCCCCCCCC)=O