| SpectraBase Compound ID | x5WvwsaQkn |
|---|---|
| InChI | InChI=1S/C21H23NO5/c1-25-18-6-12-4-5-22-10-13-7-20(27-3)21(24)16(11-23)14(13)8-17(22)15(12)9-19(18)26-2/h6-7,9,11,17,24H,4-5,8,10H2,1-3H3 |
| InChIKey | AGSHWMNEBIWZNQ-UHFFFAOYSA-N |
| Mol Weight | 369.42 g/mol |
| Molecular Formula | C21H23NO5 |
| Exact Mass | 369.157623 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6NektZ2yjZn |
|---|---|
| Name | Spiduxine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H23NO5 |
| InChI | InChI=1S/C21H23NO5/c1-25-18-6-12-4-5-22-10-13-7-20(27-3)21(24)16(11-23)14(13)8-17(22)15(12)9-19(18)26-2/h6-7,9,11,17,24H,4-5,8,10H2,1-3H3 |
| InChIKey | AGSHWMNEBIWZNQ-UHFFFAOYSA-N |
| Molecular Weight | 369.417 g/mol |
| SMILES | Oc1c(cc2c(c1C=O)CC1N(C2)CCc2cc(OC)c(cc12)OC)OC |
| SPLASH | splash10-014i-0009000000-f7d8d826f6cdc7dae909 |
| Source of Spectrum | X2-50-671-2 |
| Wiley ID | 1602325 |