| SpectraBase Compound ID | 3yxtv3GLWHY |
|---|---|
| InChI | InChI=1S/C35H37N5O6/c1-8-21-18(2)27-15-25-19(3)22(9-11-31(42)45-6)28(36-25)17-29-23(10-12-32(43)46-7)20(4)26(37-29)16-30-24(13-14-41)35(5,44)34(39-30)40-33(21)38-27/h8,13-17,37,44H,1,9-12H2,2-7H3,(H,38,39,40)/b24-13+/t35-/m1/s1 |
| InChIKey | LQFCAKXYMDUVCT-BMJGXTDESA-N |
| Mol Weight | 623.7 g/mol |
| Molecular Formula | C35H37N5O6 |
| Exact Mass | 623.274384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTlr0vJkz0r |
|---|---|
| Name | (7R)(E/Z)-5-aza-7-Hydroxyprotoporphyrin 9 dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 623.274383925 u |
| Formula | C35H37N5O6 |
| InChI | InChI=1S/C35H37N5O6/c1-8-21-18(2)27-15-25-19(3)22(9-11-31(42)45-6)28(36-25)17-29-23(10-12-32(43)46-7)20(4)26(37-29)16-30-24(13-14-41)35(5,44)34(39-30)40-33(21)38-27/h8,13-17,37,44H,1,9-12H2,2-7H3,(H,38,39,40)/b24-13+/t35-/m1/s1 |
| InChIKey | LQFCAKXYMDUVCT-BMJGXTDESA-N |
| Molecular Weight | 623.710 g/mol |
| SMILES | C1=2N=C3NC(=CC4=NC(=CC=5NC(C=C(N2)\C([C@]1(O)C)=C/C=O)=C(C5CCC(=O)OC)C)C(=C4C)CCC(=O)OC)C(=C3C=C)C |