For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(2S)-Methyl 2-[.alpha-phenylacetoacetoxy]hexadecanoate

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

(2S)-Methyl 2-[.alpha-phenylacetoacetoxy]hexadecanoate
SpectraBase Compound ID AcRHDfNhRcb
InChI InChI=1S/C27H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(26(29)31-3)33-27(30)25(32-22(2)28)23-19-16-15-17-20-23/h15-17,19-20,24-25H,4-14,18,21H2,1-3H3/t24-,25?/m0/s1
InChIKey VZJXUEUZEIPCMY-SKCDSABHSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CnA0EEJICjs
Name (2S)-Methyl 2-[.alpha-phenylacetoacetoxy]hexadecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.298139066 u
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(26(29)31-3)33-27(30)25(32-22(2)28)23-19-16-15-17-20-23/h15-17,19-20,24-25H,4-14,18,21H2,1-3H3/t24-,25?/m0/s1
InChIKey VZJXUEUZEIPCMY-SKCDSABHSA-N
Molecular Weight 462.627 g/mol
SMILES C(C(OC(=O)C)C1=CC=CC=C1)(O[C@](C(=O)OC)(CCCCCCCCCCCCCC)[H])=O