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(+-)-(1RS,2SR)-2-Hydroxy-1-(but-3-enyl)cycloheptanemethanol
SpectraBase Compound ID 6RPBX5bys97
InChI InChI=1S/C12H22O2/c1-2-3-8-12(10-13)9-6-4-5-7-11(12)14/h2,11,13-14H,1,3-10H2/t11-,12-/m0/s1
InChIKey UMMSPJCSFCRFNB-RYUDHWBXSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTH3PIOHg0w
Name (+-)-(1RS,2SR)-2-Hydroxy-1-(but-3-enyl)cycloheptanemethanol
Alternate Name(s) (1S,2R)-2-But-3-enyl-2-hydroxymethyl-cycloheptanol 2-(3-butenyl)-2-(hydroxymethyl)cycloheptanol (1S,2R)-2-but-3-enyl-2-(hydroxymethyl)-1-cycloheptanol (1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cycloheptanol (1S,2R)-2-but-3-enyl-2-(hydroxymethyl)cycloheptan-1-ol
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Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-2-3-8-12(10-13)9-6-4-5-7-11(12)14/h2,11,13-14H,1,3-10H2/t11-,12-/m0/s1
InChIKey UMMSPJCSFCRFNB-RYUDHWBXSA-N
Molecular Weight 198.306 g/mol
SMILES O[C@@]1([C@](CO)(CCCCC1)CCC=C)[H]
SPLASH splash10-053r-9200000000-4b08ead68b83ed818d53
Source of Spectrum J-63-3146-31
Wiley ID 1195942