| SpectraBase Spectrum ID |
JJAI1mhojnE |
| Name |
CBDB |
| CAS Registry Number |
60113-11-3 |
| Classification |
Phytocannabinoid |
| 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 |
300.208930140 u |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-5-6-7-15-11-18(21)20(19(22)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-17,21-22H,2,5-9H2,1,3-4H3/t16-,17+/m0/s1 |
| InChIKey |
WBRXESQKGXYDOL-DLBZAZTESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
300.442 g/mol |
| Nominal Mass |
300 u |
| Quality |
983 |
| Retention Index |
2221 |
| SMILES |
OC1=C(C(=CC(=C1)CCCC)O)[C@]1([C@](C(=C)C)(CCC(=C1)C)[H])[H] |
| SPLASH |
splash10-014i-4790000000-99e7140c6ddc710fa357 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
CBD-C4
Cannabidibutol
Cannabidiol-C4
(1R-trans)-5-butyl-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-1,3-benzenediol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032476 |
