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1,3-Benzenediol, 4,6-diiodo-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
SpectraBase Compound ID pl7ZT5RlXk
InChI InChI=1S/C21H28I2O2/c1-5-6-7-8-15-18(22)20(24)17(21(25)19(15)23)16-11-13(4)9-10-14(16)12(2)3/h11,14,16,24-25H,2,5-10H2,1,3-4H3/t14-,16+/m0/s1
InChIKey RPECYNONFDIDBF-GOEBONIOSA-N
Mol Weight 566.26 g/mol
Molecular Formula C21H28I2O2
Exact Mass 566.01787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5x3TPaSEWjA
Name 1,3-Benzenediol, 4,6-diiodo-2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
CAS Registry Number 112639-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28I2O2
InChI InChI=1S/C21H28I2O2/c1-5-6-7-8-15-18(22)20(24)17(21(25)19(15)23)16-11-13(4)9-10-14(16)12(2)3/h11,14,16,24-25H,2,5-10H2,1,3-4H3/t14-,16+/m0/s1
InChIKey RPECYNONFDIDBF-GOEBONIOSA-N
Molecular Weight 566.262 g/mol
SMILES Oc1c(c(c(c(c1I)CCCCC)I)O)[C@]1([C@](C(=C)C)(CCC(=C1)C)[H])[H]
SPLASH splash10-001i-0000920000-25c40788dfb8c07f111a
Source of Spectrum KC-1987-1426-35
Synonyms 4',6'-di-iodocannabidiol 4,6-Diiodo-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
Wiley ID 1407265