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5-tert.-Butyl-1-oxacyclohepta-3,5-diene-2,7-dione
SpectraBase Compound ID Lw2bnuvCQgs
InChI InChI=1S/C10H12O3/c1-10(2,3)7-4-5-8(11)13-9(12)6-7/h4-6H,1-3H3
InChIKey AFVDWRQOUFFOBN-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mTcuKWGkAX
Name 5-tert.-Butyl-1-oxacyclohepta-3,5-diene-2,7-dione
CAS Registry Number 72526-01-3
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-10(2,3)7-4-5-8(11)13-9(12)6-7/h4-6H,1-3H3
InChIKey AFVDWRQOUFFOBN-UHFFFAOYSA-N
Instrument Name SF = 080 MHz
Literature Reference J. Org. Chem. 45, 1153 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3