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5-Pentyl-2-(4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl)-1,3-benzenediol
SpectraBase Compound ID IwesApkAwr6
InChI InChI=1S/C21H30O2/c1-5-6-7-8-14-10-18(22)20(19(23)11-14)15-9-13(2)16-12-17(15)21(16,3)4/h9-11,15-17,22-23H,5-8,12H2,1-4H3
InChIKey JGNNUZONINQJQQ-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 AWw7UAPYoY4
Name 5-Pentyl-2-(4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl)-1,3-benzenediol
CAS Registry Number 16814-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-5-6-7-8-14-10-18(22)20(19(23)11-14)15-9-13(2)16-12-17(15)21(16,3)4/h9-11,15-17,22-23H,5-8,12H2,1-4H3
InChIKey JGNNUZONINQJQQ-UHFFFAOYSA-N
Molecular Weight 314.469 g/mol
SMILES Oc1c(c(cc(c1)CCCCC)O)C1C2C(C)(C)C(C(C)=C1)C2
SPLASH splash10-0759-2692000000-2aefcfda2d3db2a9e86a
Synonyms 1,3-Benzenediol, 5-pentyl-2-(4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-yl)-, (1.alpha.,2.alpha.,5.alpha.)- 5-Amyl-2-(4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl)resorcinol 5-Pentyl-2-(4,6,6-trimethyl-2-bicyclo[3.1.1]hept-3-enyl)benzene-1,3-diol
Wiley ID 1486675