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CBDB
SpectraBase Compound ID 8UTCI3P5uZZ
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
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FCIRGvkaMy
Name CBDB
CAS Registry Number 60113-11-3
Classification Phytocannabinoid
Comments 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 992
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-1590000000-6486f1e6fbbe970ffb75
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_029658