| SpectraBase Compound ID | E61Vf8JLGPn |
|---|---|
| InChI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| InChIKey | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C10H8O4 |
| Exact Mass | 192.042259 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5rgMtehmAWC |
|---|---|
| Name | Scopoletin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H8O4 |
| InChI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
| InChIKey | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| Molecular Weight | 192.170 g/mol |
| SMILES | Oc1c(OC)cc2C=CC(Oc2c1)=O |
| SPLASH | splash10-002f-2900000000-8644bceec252a2405914 |
| Source of Spectrum | QA-50-177-15 |
| Synonyms | 7-Hydroxy-6-methoxy-2H-chromen-2-one |
| Wiley ID | 1795729 |