| SpectraBase Compound ID | 3I8NBFCUWw |
|---|---|
| InChI | InChI=1S/C18H17NO4/c1-21-11-4-10-5-12-15-9(2-3-19-12)6-14-18(23-8-22-14)17(15)16(10)13(20)7-11/h4,6-7,12,19-20H,2-3,5,8H2,1H3 |
| InChIKey | PTEWWARRGIJHQK-UHFFFAOYSA-N |
| Mol Weight | 311.34 g/mol |
| Molecular Formula | C18H17NO4 |
| Exact Mass | 311.115758 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ImmKiVKoquD |
|---|---|
| Name | Calycinine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H17NO4 |
| InChI | InChI=1S/C18H17NO4/c1-21-11-4-10-5-12-15-9(2-3-19-12)6-14-18(23-8-22-14)17(15)16(10)13(20)7-11/h4,6-7,12,19-20H,2-3,5,8H2,1H3 |
| InChIKey | PTEWWARRGIJHQK-UHFFFAOYSA-N |
| Molecular Weight | 311.337 g/mol |
| SMILES | Oc1cc(cc2c1-c1c3C(C2)NCCc3cc2c1OCO2)OC |
| SPLASH | splash10-03di-0029000000-757649d240460d10516d |
| Source of Spectrum | X2-46-786-278 |
| Wiley ID | 1601320 |