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cis-1-Hydroxymethyl-1-phenylcyclopent-2-yl isobutanoate
SpectraBase Compound ID 5eF0jSjxYu7
InChI InChI=1S/C16H22O3/c1-12(2)15(18)19-14-9-6-10-16(14,11-17)13-7-4-3-5-8-13/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3/t14-,16-/m1/s1
InChIKey LGMPMXFDDZIDQU-GDBMZVCRSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CukFg9HEkzG
Name cis-1-Hydroxymethyl-1-phenylcyclopent-2-yl isobutanoate
Alternate Name(s) 2-Methylpropanoic acid[(1R,2S)-2-(hydroxymethyl)-2-phenylcyclopentyl]ester 2-Methylpropionic acid[(1R,2S)-2-methylol-2-phenyl-cyclopentyl]ester [(1R,2S)-2-(hydroxymethyl)-2-phenyl-cyclopentyl]2-methylpropanoate 2-Methylpropanoic acid [(1R,2S)-2-(hydroxymethyl)-2-phenylcyclopentyl] ester [(1R,2S)-2-(hydroxymethyl)-2-phenylcyclopentyl] 2-methylpropanoate [(1R,2S)-2-(hydroxymethyl)-2-phenyl-cyclopentyl] 2-methylpropanoate
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Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-12(2)15(18)19-14-9-6-10-16(14,11-17)13-7-4-3-5-8-13/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3/t14-,16-/m1/s1
InChIKey LGMPMXFDDZIDQU-GDBMZVCRSA-N
Molecular Weight 262.349 g/mol
SMILES OC[C@@]1([C@](OC(=O)C(C)C)(CCC1)[H])c1ccccc1
SPLASH splash10-00kf-6900000000-810e7ce409535c8d8309
Source of Spectrum QF-9-4308-2
Wiley ID 1558877