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(2S*,3S*)-Ethyl 3-hydroxy-2-dodecyl-3-phenylbutyrate

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

(2S*,3S*)-Ethyl 3-hydroxy-2-dodecyl-3-phenylbutyrate
SpectraBase Compound ID AWDIptTPP4I
InChI InChI=1S/C24H40O3/c1-4-6-7-8-9-10-11-12-13-17-20-22(23(25)27-5-2)24(3,26)21-18-15-14-16-19-21/h14-16,18-19,22,26H,4-13,17,20H2,1-3H3/t22-,24-/m1/s1
InChIKey ULKUSBJXGJBQDB-ISKFKSNPSA-N
Mol Weight 376.6 g/mol
Molecular Formula C24H40O3
Exact Mass 376.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1cIPQIxLlcC
Name (2S*,3S*)-Ethyl 3-hydroxy-2-dodecyl-3-phenylbutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.297745145 u
Formula C24H40O3
InChI InChI=1S/C24H40O3/c1-4-6-7-8-9-10-11-12-13-17-20-22(23(25)27-5-2)24(3,26)21-18-15-14-16-19-21/h14-16,18-19,22,26H,4-13,17,20H2,1-3H3/t22-,24-/m1/s1
InChIKey ULKUSBJXGJBQDB-ISKFKSNPSA-N
Molecular Weight 376.581 g/mol
SMILES [C@@]([C@@](C=1C=CC=CC1)(O)C)(C(=O)OCC)(CCCCCCCCCCCC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884979