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3'A,7'A-cis-3'A,4',7',7'A-Tetrahydrospiro-[cyclohexan-1,1'-(3'H)-isobenzofuran]
SpectraBase Compound ID GQuPlBC9pui
InChI InChI=1S/C13H20O/c1-4-8-13(9-5-1)12-7-3-2-6-11(12)10-14-13/h2-3,11-12H,1,4-10H2
InChIKey XNPRPWNHCPUQQC-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2jaVSvahBwX
Name 3'A,7'A-cis-3'A,4',7',7'A-Tetrahydrospiro-[cyclohexan-1,1'-(3'H)-isobenzofuran]
CAS Registry Number 77520-46-8
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-4-8-13(9-5-1)12-7-3-2-6-11(12)10-14-13/h2-3,11-12H,1,4-10H2
InChIKey XNPRPWNHCPUQQC-UHFFFAOYSA-N
Instrument Name SF = 080 MHz
Literature Reference J. Org. Chem. 46, 3091 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3