| SpectraBase Spectrum ID |
GuuBxsInz5s |
| Name |
6-[2,2-bis(methoxycarbonyl)-2-(phenylthio)ethyl]-5-bromo-4-methoxy-2H-pyran-2-one |
| Alternate Name(s) |
Dimethyl 2-[(5-bromo-4-methoxy-2-oxo-2H-pyran-6-yl)methyl]-2-(phenylsulfanyl)malonate
Propanedioic acid, [(5-bromo-4-methoxy-2-oxo-2H-pyran-6-yl)methyl](phenylthio)-, dimethyl ester |
| CAS Registry Number |
116054-38-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17BrO7S |
| InChI |
InChI=1S/C18H17BrO7S/c1-23-12-9-14(20)26-13(15(12)19)10-18(16(21)24-2,17(22)25-3)27-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3 |
| InChIKey |
HMGBVTLXOZLHCJ-UHFFFAOYSA-N |
| Molecular Weight |
457.291 g/mol |
| SMILES |
C(CC1=C(C(OC)=CC(O1)=O)Br)(C(=O)OC)(C(=O)OC)Sc1ccccc1 |
| SPLASH |
splash10-05r1-8957000000-264c5144330a75d989c9 |
| Source of Spectrum |
J-53-5151-10 |
| Wiley ID |
1389163 |
![6-[2,2-bis(methoxycarbonyl)-2-(phenylthio)ethyl]-5-bromo-4-methoxy-2H-pyran-2-one](/api/spectrum/GuuBxsInz5s/structure.png?h=300&w=458 "6-[2,2-bis(methoxycarbonyl)-2-(phenylthio)ethyl]-5-bromo-4-methoxy-2H-pyran-2-one")
