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IDITOL, HEXABENZOATE, L-

View entire compound with spectra: 3 MS (GC)

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 9xVkzTyxN6K
Name IDITOL, HEXABENZOATE, L-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name CH5
Molecular Weight 806.2352
SMILES C(C(C(C(C(COC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-1900000000-06d62220243a4f5a1f9b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany