| SpectraBase Compound ID | KtAESRv6dbI |
|---|---|
| InChI | InChI=1S/C22H16O6S/c1-12(23)27-16-11-17(24)28-21(16)18-19(25)14-9-5-6-10-15(14)20(26)22(18)29-13-7-3-2-4-8-13/h2-10,16,21H,11H2,1H3/t16-,21+/m1/s1 |
| InChIKey | UWTKSTBZVHYBML-IERDGZPVSA-N |
| Mol Weight | 408.42 g/mol |
| Molecular Formula | C22H16O6S |
| Exact Mass | 408.066759 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2VFMwhn1jk |
|---|---|
| Name | (4R*,5R*)-4-Acetoxy-5-(1,4-dioxo-3-phenylsulfanyl-1,4-dihydro-2-naphthyl)tetrahydrofuran-2-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H16O6S |
| InChI | InChI=1S/C22H16O6S/c1-12(23)27-16-11-17(24)28-21(16)18-19(25)14-9-5-6-10-15(14)20(26)22(18)29-13-7-3-2-4-8-13/h2-10,16,21H,11H2,1H3/t16-,21+/m1/s1 |
| InChIKey | UWTKSTBZVHYBML-IERDGZPVSA-N |
| Molecular Weight | 408.424 g/mol |
| SMILES | C1(=C(C(=O)c2c(C1=O)cccc2)Sc1ccccc1)[C@@]1([C@@](CC(O1)=O)(OC(=O)C)[H])[H] |
| SPLASH | splash10-0a4i-0039700000-3cde8b4313055d8898d1 |
| Source of Spectrum | KC-0-3112-12 |
| Synonyms | (2R,3R)-2-[1,4-dioxo-3-(phenylsulfanyl)-1,4-dihydro-2-naphthalenyl]-5-oxotetrahydro-3-furanyl acetate Acetic acid[(2R,3R)-2-[1,4-diketo-3-(phenylthio)-2-naphthyl]-5-keto-tetrahydrofuran-3-yl]ester Acetic acid[(2R,3R)-2-[1,4-dioxo-3-(phenylthio)-2-naphthalenyl]-5-oxo-3-oxolanyl]ester [(2R,3R)-2-(1,4-dioxo-3-phenylsulfanyl-2-naphthyl)-5-oxo-tetrahydrofuran-3-yl]acetate [(2R,3R)-2-(1,4-dioxo-3-phenylsulfanylnaphthalen-2-yl)-5-oxooxolan-3-yl]acetate [(2R,3R)-2-[1,4-bis(oxidanylidene)-3-phenylsulfanyl-naphthalen-2-yl]-5-oxidanylidene-oxolan-3-yl]ethanoate Acetic acid [(2R,3R)-2-[1,4-dioxo-3-(phenylthio)-2-naphthalenyl]-5-oxo-3-oxolanyl] ester [(2R,3R)-2-(1,4-dioxo-3-phenylsulfanylnaphthalen-2-yl)-5-oxooxolan-3-yl] acetate [(2R,3R)-2-(1,4-dioxo-3-phenylsulfanyl-2-naphthyl)-5-oxo-tetrahydrofuran-3-yl] acetate [(2R,3R)-2-[1,4-bis(oxidanylidene)-3-phenylsulfanyl-naphthalen-2-yl]-5-oxidanylidene-oxolan-3-yl] ethanoate |
| Wiley ID | 782487 |