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2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol
SpectraBase Compound ID 2SZi1MqCwYr
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
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IZ26wbN2Cu
Name Cannabidiol
CAS Registry Number 13956-29-1
Classification Psychomimetic
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
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-2790000000-3399aea4ce3df7937329
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_030433