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Ethyl (2S,3R)-3-[2,3-Bis(3,4-dichlorobenzyloxy)-4-methylphenyl]-2-hydroxy-4-methylpent-4-enoate

View entire compound with spectra: 1 MS (GC)

Ethyl (2S,3R)-3-[2,3-Bis(3,4-dichlorobenzyloxy)-4-methylphenyl]-2-hydroxy-4-methylpent-4-enoate
SpectraBase Compound ID DVqR0giujT7
InChI InChI=1S/C29H28Cl4O5/c1-5-36-29(35)26(34)25(16(2)3)20-9-6-17(4)27(37-14-18-7-10-21(30)23(32)12-18)28(20)38-15-19-8-11-22(31)24(33)13-19/h6-13,25-26,34H,2,5,14-15H2,1,3-4H3/t25-,26+/m1/s1
InChIKey BWXWAEPBHJVWTP-FTJBHMTQSA-N
Mol Weight 598.4 g/mol
Molecular Formula C29H28Cl4O5
Exact Mass 596.069085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLhwIrlEeg2
Name Ethyl (2S,3R)-3-[2,3-Bis(3,4-dichlorobenzyloxy)-4-methylphenyl]-2-hydroxy-4-methylpent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28Cl4O5
InChI InChI=1S/C29H28Cl4O5/c1-5-36-29(35)26(34)25(16(2)3)20-9-6-17(4)27(37-14-18-7-10-21(30)23(32)12-18)28(20)38-15-19-8-11-22(31)24(33)13-19/h6-13,25-26,34H,2,5,14-15H2,1,3-4H3/t25-,26+/m1/s1
InChIKey BWXWAEPBHJVWTP-FTJBHMTQSA-N
Molecular Weight 598.350 g/mol
SMILES O[C@@]([C@@](c1c(c(OCc2cc(Cl)c(cc2)Cl)c(cc1)C)OCc1cc(Cl)c(cc1)Cl)(C(=C)C)[H])(C(=O)OCC)[H]
SPLASH splash10-0bt9-0900100000-0366e8a2ba4c759f2e0e
Source of Spectrum F-59-127-10
Wiley ID 1676726