| SpectraBase Spectrum ID |
2nG7fVFDnmq |
| Name |
Scopoletin TMS |
| CAS Registry Number |
53820-21-6 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
264.081785526 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
264.352 g/mol |
| Nominal Mass |
264 u |
| Quality |
935 |
| Retention Index |
1890 |
| SMILES |
C1=2C(=CC(=C(C2)OC)O[Si](C)(C)C)OC(C=C1)=O |
| SPLASH |
splash10-001i-5390000000-dfb877545b0942a85251 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Chrysatropic acid
Gelseminic acid
7-Hydroxy-6-methoxychromen-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012818 |
