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IDITOL, HEXABENZOATE, L-
SpectraBase Compound ID A3nVwoVONd
InChI InChI=1S/C48H38O12/c49-43(33-19-7-1-8-20-33)55-31-39(57-45(51)35-23-11-3-12-24-35)41(59-47(53)37-27-15-5-16-28-37)42(60-48(54)38-29-17-6-18-30-38)40(58-46(52)36-25-13-4-14-26-36)32-56-44(50)34-21-9-2-10-22-34/h1-30,39-42H,31-32H2
InChIKey LDCRTWOPHMRXIF-UHFFFAOYSA-N
Mol Weight 806.8 g/mol
Molecular Formula C48H38O12
Exact Mass 806.236327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTv9c1bh00F
Name 1,2,3,4,5,6-Hexa-O-benzoylhexitol
CAS Registry Number 7462-41-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H38O12
InChI InChI=1S/C48H38O12/c49-43(33-19-7-1-8-20-33)55-31-39(57-45(51)35-23-11-3-12-24-35)41(59-47(53)37-27-15-5-16-28-37)42(60-48(54)38-29-17-6-18-30-38)40(58-46(52)36-25-13-4-14-26-36)32-56-44(50)34-21-9-2-10-22-34/h1-30,39-42H,31-32H2
InChIKey LDCRTWOPHMRXIF-UHFFFAOYSA-N
Molecular Weight 806.820 g/mol
SMILES C(C(C(OC(=O)c1ccccc1)COC(=O)c1ccccc1)OC(=O)c1ccccc1)(C(OC(=O)c1ccccc1)COC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-3931100000-ff3fdd8702ecfd78829c
Source of Spectrum KO-6-118-1
Synonyms D-Mannitol, hexabenzoate 2,3,4,5,6-pentabenzoyloxyhexyl benzoate 2,3,4,5,6-pentakis(phenylcarbonyloxy)hexyl benzoate benzoic acid 2,3,4,5,6-pentabenzoyloxyhexyl ester Dulcitol hexabenzoate Iditol, hexabenzoate, L-
Wiley ID 1417233