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2,2-Pentamethylene-1,3-dioxa-5,6-benzocycloheptene

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2,2-Pentamethylene-1,3-dioxa-5,6-benzocycloheptene
SpectraBase Compound ID 5C60dIiZucI
InChI InChI=1S/C14H18O2/c1-4-8-14(9-5-1)15-10-12-6-2-3-7-13(12)11-16-14/h2-3,6-7H,1,4-5,8-11H2
InChIKey DOMDJQVUDCVBGY-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2V6RZECt08
Name 2,2-Pentamethylene-1,3-dioxa-5,6-benzocycloheptene
CAS Registry Number 67461-22-7
Comments SOLVENT IST CHCLF2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-4-8-14(9-5-1)15-10-12-6-2-3-7-13(12)11-16-14/h2-3,6-7H,1,4-5,8-11H2
InChIKey DOMDJQVUDCVBGY-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference A. Blanchette, F. Sauriol-Lord, J. Am. Chem. Soc. 100, 4055 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany