| SpectraBase Compound ID | Jyzst5rb1SE |
|---|---|
| InChI | InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2 |
| InChIKey | ABXZOXDTHTTZJW-UHFFFAOYSA-N |
| Mol Weight | 287.31 g/mol |
| Molecular Formula | C16H17NO4 |
| Exact Mass | 287.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWP0ry1qpo3 |
|---|---|
| Name | Papaveroline, 1,2,3,4-tetrahydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.115758027 u |
| Formula | C16H17NO4 |
| InChI | InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2 |
| InChIKey | ABXZOXDTHTTZJW-UHFFFAOYSA-N |
| SMILES | C1=C2C(=CC(=C1O)O)CCNC2CC1=CC=C(C(=C1)O)O |