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Cannabidiol
SpectraBase Compound ID KNzteyi2jA3
InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
InChIKey QHMBSVQNZZTUGM-ZWKOTPCHSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KEa3E3cwlWY
Name Cannabinol
Source of Sample Cayman Chemical Company
Catalog Number 90080
CAS Registry Number 13956-29-1
Cell Type Neat on gold post
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
IUPAC Name 2-[1R-3-Methyl-6R-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
InChIKey QHMBSVQNZZTUGM-ZWKOTPCHSA-N
Molecular Weight 314.469 g/mol
Purity >=98%
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Source Nd:YAG
SMILES Oc1cc(cc(c1[C@]1([C@@](CCC(=C1)C)(C(C)=C)[H])[H])O)CCCCC
Scans Performed 2048
Source of Spectrum Forensic Spectral Research
Synonyms CBD; (-)-CBD
Technique FT-Raman