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1-(2,3-Dihydroxy-5-methylphenyl)-1,2,2-trimethylcyclopentane [(+-)-Herberenediol]
SpectraBase Compound ID EsZIr5ySNyO
InChI InChI=1S/C15H22O2/c1-10-8-11(13(17)12(16)9-10)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3/t15-/m1/s1
InChIKey GPNWEPCCGRBHED-OAHLLOKOSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tHc6x1FrcO
Name 1-(2,3-Dihydroxy-5-methylphenyl)-1,2,2-trimethylcyclopentane [(+-)-Herberenediol]
CAS Registry Number 86996-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-10-8-11(13(17)12(16)9-10)15(4)7-5-6-14(15,2)3/h8-9,16-17H,5-7H2,1-4H3/t15-/m1/s1
InChIKey GPNWEPCCGRBHED-OAHLLOKOSA-N
Molecular Weight 234.339 g/mol
SMILES Oc1cc(cc(c1O)[C@@]1(C(CCC1)(C)C)C)C
SPLASH splash10-0udi-0920000000-ee8fe808d61af90fa3fd
Source of Spectrum F-62-2899-5
Synonyms (-)-Herbertenediol 5-Methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol 5-Methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]pyrocatechol
Wiley ID 1632777