SpectraBase Compound ID | 6HSHx5jKJeY |
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InChI | InChI=1S/C25H31NO5/c1-4-16-26(19(2)27)17-22(31-20(3)28)18-30-25-13-9-8-12-23(25)24(29)15-14-21-10-6-5-7-11-21/h5-13,22H,4,14-18H2,1-3H3 |
InChIKey | JBOWCMDVCHNCPO-UHFFFAOYSA-N |
Mol Weight | 425.53 g/mol |
Molecular Formula | C25H31NO5 |
Exact Mass | 425.220223 g/mol |
SpectraBase Spectrum ID | 2xHtqFdlBYa |
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Name | Propafenone 2ac P1521 |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 425.220223097 u |
Formula | C25H31NO5 |
InChI | InChI=1S/C25H31NO5/c1-4-16-26(19(2)27)17-22(31-20(3)28)18-30-25-13-9-8-12-23(25)24(29)15-14-21-10-6-5-7-11-21/h5-13,22H,4,14-18H2,1-3H3 |
InChIKey | JBOWCMDVCHNCPO-UHFFFAOYSA-N |
Molecular Weight | 425.525 g/mol |
SMILES | C=1(CCC(C=2C=CC=CC2OCC(CN(C(C)=O)CCC)OC(C)=O)=O)C=CC=CC1 |