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(1sr,2sr,3rs)-3-Hydroxy-2-methyl-1-phenylpentyl benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jxh3vlcHRy
Name (1sr,2sr,3rs)-3-Hydroxy-2-methyl-1-phenylpentyl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.156894565 u
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
SMILES [C@@](OC(=O)C1=CC=CC=C1)([C@]([C@](O)(CC)[H])(C)[H])(C=1C=CC=CC1)[H]