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

*Links on SpectraBase are not permalinks.

(+/-)-3,4-dihydro-3,5-dimethylisocoumarin

View entire compound with spectra: 2 NMR, and 1 FTIR

(+/-)-3,4-dihydro-3,5-dimethylisocoumarin
SpectraBase Compound ID 5MJQ6uZmnWe
InChI InChI=1S/C11H12O2/c1-7-4-3-5-9-10(7)6-8(2)13-11(9)12/h3-5,8H,6H2,1-2H3
InChIKey JSHNDYQYNDDLPY-UHFFFAOYSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 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 1wQxLhjl1wF
Name 3,5-Dimethyl-3,4-dihydro-isocoumarin
CAS Registry Number 74807-68-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-7-4-3-5-9-10(7)6-8(2)13-11(9)12/h3-5,8H,6H2,1-2H3
InChIKey JSHNDYQYNDDLPY-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference P.D. Pansegrau, W.F. Rieker, A.I.Meyers, J. Am. Chem. Soc. 110, 7178 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3