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3,4-Benzobicyclo(4.2.1)nonane

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3,4-Benzobicyclo(4.2.1)nonane
SpectraBase Compound ID FI2jLwKmtpy
InChI InChI=1S/C13H16/c1-2-4-13-9-11-6-5-10(7-11)8-12(13)3-1/h1-4,10-11H,5-9H2/t10-,11+
InChIKey DHWWZIYVXHAHNK-PHIMTYICSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKNHikKVUhk
Name 3,4-Benzobicyclo(4.2.1)nonane
CAS Registry Number 71919-88-5
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-2-4-13-9-11-6-5-10(7-11)8-12(13)3-1/h1-4,10-11H,5-9H2/t10-,11+
InChIKey DHWWZIYVXHAHNK-PHIMTYICSA-N
Instrument Name Varian HA-100
Literature Reference R.D. Miller, J. Kolc, J. Michl, J. Am. Chem. Soc. 98, 8510 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3