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(2S,3R,4S)-3-[2,3-Bis(3,4-dichlorobenzyloxy)-4-methylphenyl]-2-(hydroxy)-4-methyl-.delta.-valerolactone
SpectraBase Compound ID 7IQfNVE1Mot
InChI InChI=1S/C27H24Cl4O5/c1-14-3-6-18(23-15(2)11-36-27(33)24(23)32)26(35-13-17-5-8-20(29)22(31)10-17)25(14)34-12-16-4-7-19(28)21(30)9-16/h3-10,15,23-24,32H,11-13H2,1-2H3/t15-,23-,24+/m1/s1
InChIKey PTVUFQFSKHOTAQ-PQRODAJWSA-N
Mol Weight 570.3 g/mol
Molecular Formula C27H24Cl4O5
Exact Mass 568.037785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HpgWdQZNbM
Name (2S,3R,4S)-3-[2,3-Bis(3,4-dichlorobenzyloxy)-4-methylphenyl]-2-(hydroxy)-4-methyl-.delta.-valerolactone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24Cl4O5
InChI InChI=1S/C27H24Cl4O5/c1-14-3-6-18(23-15(2)11-36-27(33)24(23)32)26(35-13-17-5-8-20(29)22(31)10-17)25(14)34-12-16-4-7-19(28)21(30)9-16/h3-10,15,23-24,32H,11-13H2,1-2H3/t15-,23-,24+/m1/s1
InChIKey PTVUFQFSKHOTAQ-PQRODAJWSA-N
Molecular Weight 570.296 g/mol
SMILES O[C@@]1(C(=O)OC[C@]([C@@]1(c1c(c(OCc2cc(Cl)c(cc2)Cl)c(cc1)C)OCc1cc(Cl)c(cc1)Cl)[H])(C)[H])[H]
SPLASH splash10-0bt9-0920010000-424042a46d14452b59fa
Source of Spectrum F-59-129-16
Synonyms (3S,4R,5S)-4-[2,3-Bis-(3,4-dichloro-benzyloxy)-4-methyl-phenyl]-3-hydroxy-5-methyl-tetrahydro-pyran-2-one
Wiley ID 1676720