| SpectraBase Spectrum ID |
5UbSvahXpiH |
| Name |
scopoletin, 1TMS |
| Comments |
Derivatization type: 1 TMS (mass: 264.082); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000918; Note: The molecular formula of the structure shown is C10H8O4 - which differs from the formula reported for the mass spectrum (C13H16O4Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O4Si |
| InChI |
InChI=1S/C13H16O4Si/c1-15-11-7-9-5-6-13(14)16-10(9)8-12(11)17-18(2,3)4/h5-8H,1-4H3 |
| InChIKey |
NMJKTIAWKZTMIN-UHFFFAOYSA-N |
| Molecular Weight |
264.352 g/mol |
| SMILES |
COc1cc2C=CC(=O)Oc2cc1O[Si](C)(C)C |
| SPLASH |
splash10-053r-2590000000-6a0382047889a34f75d3 |
| Source of Spectrum |
FM-2019-918-0 |
| Synonyms |
Scopoletine, 1TMS
Chrysatropic acid, 1TMS
Gelseminic acid, 1TMS
6-Methylesculetin, 1TMS
Murrayetin, 1TMS
7-Hydroxy-6-methoxychromen-2-one, 1TMS
6-Methoxy-7-((trimethylsilyl)oxy)-2H-chromen-2-one |
| Wiley ID |
1818584 |
