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TRANS-3-ALPHA-PHENYL-HEXAHYDRO-1(3H)-ISO-BENZO-FURANONE
SpectraBase Compound ID IRyvnxvQgbx
InChI InChI=1S/C14H16O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2
InChIKey LJPBGQJJWODJLW-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WQ8bDNXlbm
Name cis-3a,7a-3-Phenylhexahydrophthalide
CAS Registry Number 86528-46-3
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c15-14-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2
InChIKey LJPBGQJJWODJLW-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference J. Org. Chem. 48, 3067 (1983).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3