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

*Links on SpectraBase are not permalinks.

4-(3-Isocoumarinyl)-3-oxo-butanoic acid, tert-butyl ester

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

4-(3-Isocoumarinyl)-3-oxo-butanoic acid, tert-butyl ester
SpectraBase Compound ID 6r5RAstEhMg
InChI InChI=1S/C17H18O5/c1-17(2,3)22-15(19)10-12(18)9-13-8-11-6-4-5-7-14(11)16(20)21-13/h4-8H,9-10H2,1-3H3
InChIKey XPTKUCVDGWAFBK-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 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 4PCPLphKMMv
Name 4-(3-Isocoumarinyl)-3-oxo-butanoic acid, tert-butyl ester
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-17(2,3)22-15(19)10-12(18)9-13-8-11-6-4-5-7-14(11)16(20)21-13/h4-8H,9-10H2,1-3H3
InChIKey XPTKUCVDGWAFBK-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference T.M. Harris, C.M. Harris, T.A.Oster, J. Am. Chem. Soc. 110, 6180 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3