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1,3-Benzenediol, 4-iodo-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
SpectraBase Compound ID 7aOUhojiByj
InChI InChI=1S/C21H29IO2/c1-5-6-7-8-15-12-18(23)19(21(24)20(15)22)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
InChIKey PVYLXJWPOKVORX-DLBZAZTESA-N
Mol Weight 440.37 g/mol
Molecular Formula C21H29IO2
Exact Mass 440.121225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28jXz7Kuge1
Name 1,3-Benzenediol, 4-iodo-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
CAS Registry Number 112639-14-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29IO2
InChI InChI=1S/C21H29IO2/c1-5-6-7-8-15-12-18(23)19(21(24)20(15)22)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
InChIKey PVYLXJWPOKVORX-DLBZAZTESA-N
Molecular Weight 440.365 g/mol
SMILES Oc1c(c(c(c(c1)CCCCC)I)O)[C@]1([C@](C(=C)C)(CCC(=C1)C)[H])[H]
SPLASH splash10-0a4i-0009100000-903cbcb3f8617b06e0c9
Source of Spectrum KC-1987-1426-34
Synonyms 4'-Iodocannabidiol 4-iodo-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
Wiley ID 1384591