SpectraBase Spectrum ID |
JIjXDHs0ht2 |
Name |
Cannabidiol |
CAS Registry Number |
13956-29-1 |
Classification |
Psychomimetic |
Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
314.224580204 u |
Formula |
C21H30O2 |
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 |
InChIKey |
QHMBSVQNZZTUGM-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
314.469 g/mol |
Nominal Mass |
314 u |
Quality |
999 |
Retention Index |
2383 |
SMILES |
OC=1C(C2C(C(=C)C)CCC(=C2)C)=C(C=C(C1)CCCCC)O |
SPLASH |
splash10-001i-3790000000-e720b8b068c14b22186f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol |
Technique |
GC/MS |
Wiley ID |
DD2024_008299 |