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4a.alpha.,7.alpha.,7a.beta.-Nepetalactone

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4a.alpha.,7.alpha.,7a.beta.-Nepetalactone
SpectraBase Compound ID HY39C23tMF9
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
InChIKey ZDKZHVNKFOXMND-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwnzjA8kvRv
Name 4a.beta.,7.alpha.,7a.beta.-Nepetalactone
CAS Registry Number 21651-53-6
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
InChIKey ZDKZHVNKFOXMND-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference J. Org. Chem. 45, 3811 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3