| SpectraBase Spectrum ID |
8zHTJ6HBlLx |
| Name |
Papaveroline, N-acetyl-, tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.168581444 u |
| Formula |
C26H27NO9 |
| InChI |
InChI=1S/C26H27NO9/c1-14(28)27-9-8-20-12-25(35-17(4)31)26(36-18(5)32)13-21(20)22(27)10-19-6-7-23(33-15(2)29)24(11-19)34-16(3)30/h6-7,11-13,22H,8-10H2,1-5H3 |
| InChIKey |
ORLPYGYJWNYUFC-UHFFFAOYSA-N |
| Molecular Weight |
497.500 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)C(N(CC2)C(C)=O)CC1=CC(=C(OC(C)=O)C=C1)OC(=O)C)OC(C)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845124 |
