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2,4,6-Tri(4-benzoyloxybutyl)-1,3,5-trioxane

View entire compound with spectra: 1 MS (GC)

2,4,6-Tri(4-benzoyloxybutyl)-1,3,5-trioxane
SpectraBase Compound ID LL40vrIHgVF
InChI InChI=1S/C36H42O9/c37-34(28-16-4-1-5-17-28)40-25-13-10-22-31-43-32(23-11-14-26-41-35(38)29-18-6-2-7-19-29)45-33(44-31)24-12-15-27-42-36(39)30-20-8-3-9-21-30/h1-9,16-21,31-33H,10-15,22-27H2
InChIKey HQBPSPOWVDNCQP-UHFFFAOYSA-N
Mol Weight 618.7 g/mol
Molecular Formula C36H42O9
Exact Mass 618.282883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcaIo4WWhQw
Name 2,4,6-Tri(4-benzoyloxybutyl)-1,3,5-trioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H42O9
InChI InChI=1S/C36H42O9/c37-34(28-16-4-1-5-17-28)40-25-13-10-22-31-43-32(23-11-14-26-41-35(38)29-18-6-2-7-19-29)45-33(44-31)24-12-15-27-42-36(39)30-20-8-3-9-21-30/h1-9,16-21,31-33H,10-15,22-27H2
InChIKey HQBPSPOWVDNCQP-UHFFFAOYSA-N
Molecular Weight 618.723 g/mol
SMILES C1(OC(OC(O1)CCCCOC(=O)c1ccccc1)CCCCOC(=O)c1ccccc1)CCCCOC(=O)c1ccccc1
SPLASH splash10-0a4i-0190100000-9e16bf96bd26fc5cb030
Source of Spectrum KC-57-6185-11
Synonyms 4-{4,6-bis[4-(benzoyloxy)butyl]-1,3,5-trioxan-2-yl}butyl benzoate
Wiley ID 1625132