Debug Info

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_id
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LlmZaFOufGO
spectrumID
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LlmZaFOufGO
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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2-TERT.-BUTYL-1,3-DIOXA-5,6-BENZOCYCLOHEPTENE;(CHAIR-CONFORMATION)
SpectraBase Compound ID Ft7epDSxmyf
InChI InChI=1S/C13H18O2/c1-13(2,3)12-14-8-10-6-4-5-7-11(10)9-15-12/h4-7,12H,8-9H2,1-3H3
InChIKey CMCJLYLPCFMLCI-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlmZaFOufGO
Name 2-TERT.-BUTYL-1,3-DIOXA-5,6-BENZOCYCLOHEPTENE;(CHAIR-CONFORMATION)
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13(2,3)12-14-8-10-6-4-5-7-11(10)9-15-12/h4-7,12H,8-9H2,1-3H3
InChIKey CMCJLYLPCFMLCI-UHFFFAOYSA-N
Literature Reference Author R.ST-AMOUR,M.ST-JACQUES
Literature Reference Citation CAN.J.CHEM.,61,109(1983)
Literature Reference DOI 10.1139/v83-019
Molecular Weight 206.285 g/mol
Solvent CHF2Cl:CD2Cl2=17:3
Source File Reference UWED426
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