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1-O-Acetyl-2,5-di-O-benzoylpentitol

View entire compound with spectra: 1 MS (GC)

1-O-Acetyl-2,5-di-O-benzoylpentitol
SpectraBase Compound ID 3D7D0GbYA9S
InChI InChI=1S/C21H22O8/c1-14(22)27-13-18(29-21(26)16-10-6-3-7-11-16)19(24)17(23)12-28-20(25)15-8-4-2-5-9-15/h2-11,17-19,23-24H,12-13H2,1H3/t17-,18+,19+/m1/s1
InChIKey KOWPSLFKMSENEM-QYZOEREBSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmPSRcnpfC6
Name 1-O-Acetyl-2,5-di-O-benzoylpentitol
Alternate Name(s) (5-acetoxy-4-benzoyloxy-2,3-dihydroxy-pentyl) benzoate (5-acetyloxy-4-benzoyloxy-2,3-dihydroxypentyl) benzoate benzoic acid (5-acetoxy-4-benzoyloxy-2,3-dihydroxy-pentyl) ester benzoic acid (5-acetyloxy-4-benzoyloxy-2,3-dihydroxypentyl) ester Xylitol, 1-acetate 2,5-dibenzoate
CAS Registry Number 74793-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-14(22)27-13-18(29-21(26)16-10-6-3-7-11-16)19(24)17(23)12-28-20(25)15-8-4-2-5-9-15/h2-11,17-19,23-24H,12-13H2,1H3/t17-,18+,19+/m1/s1
InChIKey KOWPSLFKMSENEM-QYZOEREBSA-N
Molecular Weight 402.399 g/mol
SMILES O[C@@]([C@@]([C@@](OC(=O)c1ccccc1)(COC(=O)C)[H])(O)[H])(COC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-2900000000-5747499e30a474da0db3
Source of Spectrum HE-1982-0-0
Wiley ID 1370285