Debug Info

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3PYS23zcxLu
spectrumID
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3PYS23zcxLu
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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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9b-Caryophyllen
SpectraBase Compound ID 7qHW1Aed8dx
InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+
InChIKey NPNUFJAVOOONJE-IZZDOVSWSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 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 3PYS23zcxLu
Name 9b-Caryophyllen
CAS Registry Number 87-44-5
Comments SOLVENT C6D6:CDCL3 2:1 SHIFT OF C3 CHANGED FROM 24.8 PPM FOLLOWING PHYTOCHEM.19
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C15H24
InChI InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+
InChIKey NPNUFJAVOOONJE-IZZDOVSWSA-N
Instrument Name Bruker WH-270
Literature Reference F. Bohlmann, C. Zdero, Phytochem. 17, 1135 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
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