| SpectraBase Compound ID | 13BES39Jyri |
|---|---|
| InChI | InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2 |
| InChIKey | JKZMYBLUKAMPKM-UHFFFAOYSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AmuEx5bEyfP |
|---|---|
| Name | Pancracine |
| CAS Registry Number | 21416-14-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c18-13-2-10-11-6-17(12(10)4-14(13)19)5-8-1-15-16(3-9(8)11)21-7-20-15/h1-3,11-14,18-19H,4-7H2 |
| InChIKey | JKZMYBLUKAMPKM-UHFFFAOYSA-N |
| Molecular Weight | 287.315 g/mol |
| SMILES | OC1CC2C(=CC1O)C1c3cc4c(cc3CN2C1)OCO4 |
| SPLASH | splash10-0a6r-0090000000-8fdb45069b06a20a505c |
| Source of Spectrum | Y4-85-120-1 |
| Synonyms | 6,11-Methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine, pancracine deriv. 6,11-Methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol, 5,6a,7,8,9,11-hexahydro-, [6aS-(6.beta.,6a.alpha.,8.alpha.,9.beta.,11.beta.)]- Hippagine [6aS-(6.beta.,6a.alpha.,8.alpha.,9.beta.,11.beta.)]-5,6a,7,8,9,11-Hex ahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol |
| Wiley ID | 1550185 |