| SpectraBase Compound ID | IWLBOB8xkEa |
|---|---|
| InChI | InChI=1S/C22H22O8/c1-15(23)29-19(13-27-21(25)17-9-5-3-6-10-17)20(30-16(2)24)14-28-22(26)18-11-7-4-8-12-18/h3-12,19-20H,13-14H2,1-2H3 |
| InChIKey | ZLLARXZBYLBNCE-UHFFFAOYSA-N |
| Mol Weight | 414.41 g/mol |
| Molecular Formula | C22H22O8 |
| Exact Mass | 414.131468 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EcHsaGjpavg |
|---|---|
| Name | 2,3-Bis(acetyloxy)-4-(benzoyloxy)butyl benzoate |
| Alternate Name(s) | (2,3-diacetoxy-4-benzoyloxy-butyl) benzoate (2,3-diacetyloxy-4-benzoyloxybutyl) benzoate 1,2,3,4-Butanetetrol, 2,3-diacetate 1,4-dibenzoate, (R*,R*)- 1,2,3,4-Butanetetrol, 2,3-diacetate 1,4-dibenzoate, (R*,S*)- benzoic acid (2,3-diacetoxy-4-benzoyloxy-butyl) ester benzoic acid (2,3-diacetyloxy-4-benzoyloxybutyl) ester |
| CAS Registry Number | 74793-38-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22O8 |
| InChI | InChI=1S/C22H22O8/c1-15(23)29-19(13-27-21(25)17-9-5-3-6-10-17)20(30-16(2)24)14-28-22(26)18-11-7-4-8-12-18/h3-12,19-20H,13-14H2,1-2H3 |
| InChIKey | ZLLARXZBYLBNCE-UHFFFAOYSA-N |
| Molecular Weight | 414.410 g/mol |
| SMILES | C(OC(c1ccccc1)=O)C(C(OC(C)=O)COC(c1ccccc1)=O)OC(C)=O |
| SPLASH | splash10-0a4i-4910000000-55f8b9dce2442c48fdfa |
| Source of Spectrum | HE-1982-0-0 |
| Wiley ID | 1375323 |