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(1SR,2SR,3RS)-3-Hydroxy-2-methyl-1-phenylpentyl benzoate
SpectraBase Compound ID FKMclTtn741
InChI InChI=1S/C19H22O3/c1-3-17(20)14(2)18(15-10-6-4-7-11-15)22-19(21)16-12-8-5-9-13-16/h4-14,17-18,20H,3H2,1-2H3/t14-,17+,18-/m0/s1
InChIKey DWCPAIFJGCBJCM-QGTPRVQTSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lUraUAuUAB
Name (1SR,2SR,3RS)-3-Hydroxy-2-methyl-1-phenylpentyl benzoate
Alternate Name(s) 3-Hydroxy-2-methyl-1-phenylpentyl benzoate benzoic acid [(1S,2S,3R)-3-hydroxy-2-methyl-1-phenylpentyl] ester [(1S,2S,3R)-3-hydroxy-2-methyl-1-phenylpentyl] benzoate [(1S,2S,3R)-3-hydroxy-2-methyl-1-phenyl-pentyl] benzoate [(1S,2S,3R)-2-methyl-3-oxidanyl-1-phenyl-pentyl] benzoate
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Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-3-17(20)14(2)18(15-10-6-4-7-11-15)22-19(21)16-12-8-5-9-13-16/h4-14,17-18,20H,3H2,1-2H3/t14-,17+,18-/m0/s1
InChIKey DWCPAIFJGCBJCM-QGTPRVQTSA-N
Molecular Weight 298.382 g/mol
SMILES O[C@@]([C@@]([C@](OC(=O)c1ccccc1)(c1ccccc1)[H])(C)[H])(CC)[H]
SPLASH splash10-0aor-0900000000-7968855b5f072b1e002b
Source of Spectrum SO-0-1089-1
Wiley ID 874027