| SpectraBase Spectrum ID |
HGfhPs5xRpT |
| Name |
4,7-Methano-1,3-dioxolo[4,5-c]oxepin-6(4H)-one, tetrahydro-2,2-dimethyl-8-(phenylthio)-, (3a.alpha.,4.alpha.,7.alpha.,8.alpha.,8a.a lpha.)-(.+-.)- |
| CAS Registry Number |
130177-69-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O4S |
| InChI |
InChI=1S/C16H18O4S/c1-16(2)19-12-11-8-10(15(17)18-11)14(13(12)20-16)21-9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3 |
| InChIKey |
YUNUFKUSZFMRNN-UHFFFAOYSA-N |
| Molecular Weight |
306.376 g/mol |
| SMILES |
C12C(C3C(=O)OC(C2OC(O1)(C)C)C3)Sc1ccccc1 |
| SPLASH |
splash10-052f-0096000000-21fe46e88561a4fe8246 |
| Source of Spectrum |
F-46-3989-19 |
| Synonyms |
4,4-dimethyl-7-(phenylsulfanyl)-3,5,10-trioxatricyclo[6.2.1.0(2,6)]undecan-9-one
endo-3,4-isopropylidenedioxy-exo-2-phenylthio-6-oxabicyclo[3.2.1]octan-7-one |
| Wiley ID |
1307915 |
![4,7-Methano-1,3-dioxolo[4,5-c]oxepin-6(4H)-one, tetrahydro-2,2-dimethyl-8-(phenylthio)-, (3a.alpha.,4.alpha.,7.alpha.,8.alpha.,8a.a lpha.)-(.+-.)-](/api/spectrum/HGfhPs5xRpT/structure.png?h=300&w=458 "4,7-Methano-1,3-dioxolo[4,5-c]oxepin-6(4H)-one, tetrahydro-2,2-dimethyl-8-(phenylthio)-, (3a.alpha.,4.alpha.,7.alpha.,8.alpha.,8a.a lpha.)-(.+-.)-")
