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

*Links on SpectraBase are not permalinks.

Tert-butyl 5-((1E,3E)-1-(4-chlorophenyl)octa-1,3-dien-3-yl)-2-methylfuran-3-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Tert-butyl 5-((1E,3E)-1-(4-chlorophenyl)octa-1,3-dien-3-yl)-2-methylfuran-3-carboxylate
SpectraBase Compound ID 9LauwpTY1VF
InChI InChI=1S/C24H29ClO3/c1-6-7-8-9-19(13-10-18-11-14-20(25)15-12-18)22-16-21(17(2)27-22)23(26)28-24(3,4)5/h9-16H,6-8H2,1-5H3/b13-10+,19-9+
InChIKey GVFKWGASLDNLKB-UAFYEKSJSA-N
Mol Weight 400.95 g/mol
Molecular Formula C24H29ClO3
Exact Mass 400.180522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID H7rT95ekeG7
Name Tert-butyl 5-((1E,3E)-1-(4-chlorophenyl)octa-1,3-dien-3-yl)-2-methylfuran-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.180522491 u
Formula C24H29ClO3
InChI InChI=1S/C24H29ClO3/c1-6-7-8-9-19(13-10-18-11-14-20(25)15-12-18)22-16-21(17(2)27-22)23(26)28-24(3,4)5/h9-16H,6-8H2,1-5H3/b13-10+,19-9+
InChIKey GVFKWGASLDNLKB-UAFYEKSJSA-N
Molecular Weight 400.946 g/mol
SMILES C=1(OC(=CC1C(=O)OC(C)(C)C)\C(\C=C\C=1C=CC(=CC1)Cl)=C\CCCC)C