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(1R,2R,6R)-6-chloranyl-1,3,3-trimethyl-2-[(E,3R)-3-oxidanylbut-1-enyl]cyclohexan-1-ol
SpectraBase Compound ID D9twd1CK1eh
InChI InChI=1S/C13H23ClO2/c1-9(15)5-6-10-12(2,3)8-7-11(14)13(10,4)16/h5-6,9-11,15-16H,7-8H2,1-4H3/b6-5+/t9-,10-,11-,13-/m1/s1
InChIKey YYSBMMILZCGVNN-PORVGSOLSA-N
Mol Weight 246.78 g/mol
Molecular Formula C13H23ClO2
Exact Mass 246.138658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2VcBEDBsBO
Name (1R,2R,6R)-6-chloranyl-1,3,3-trimethyl-2-[(E,3R)-3-oxidanylbut-1-enyl]cyclohexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23ClO2
InChI InChI=1S/C13H23ClO2/c1-9(15)5-6-10-12(2,3)8-7-11(14)13(10,4)16/h5-6,9-11,15-16H,7-8H2,1-4H3/b6-5+/t9-,10-,11-,13-/m1/s1
InChIKey YYSBMMILZCGVNN-PORVGSOLSA-N
Molecular Weight 246.778 g/mol
SMILES O[C@@](\C=C\[C@]1([C@]([C@@](CCC1(C)C)(Cl)[H])(O)C)[H])(C)[H]
SPLASH splash10-00dj-0910000000-c9bbf91680387a201436
Source of Spectrum KC-0-276-7
Synonyms (1R,2R,6R)-6-chloro-2-[(E,3R)-3-hydroxybut-1-enyl]-1,3,3-trimethyl-1-cyclohexanol (1R,2R,6R)-6-chloro-2-[(E,3R)-3-hydroxybut-1-enyl]-1,3,3-trimethyl-cyclohexanol (1R,2R,6R)-6-chloro-2-[(E,3R)-3-hydroxybut-1-enyl]-1,3,3-trimethylcyclohexan-1-ol
Wiley ID 827374