| SpectraBase Compound ID | 1FaEnroVaXm |
|---|---|
| InChI | InChI=1S/C21H26N2O4/c1-12(24)14-9-13-10-20(19(25)27-2)17(14)23(11-13)8-7-21(26)15-5-3-4-6-16(15)22-18(20)21/h3-6,12-14,17,24,26H,7-11H2,1-2H3/t12?,13-,14-,17+,20+,21-/m1/s1 |
| InChIKey | BPKMKKDJAWRIOB-MQNTZYBTSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C21H26N2O4 |
| Exact Mass | 370.189257 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CVNGOejFYyj |
|---|---|
| Name | Heyneanine - hydroxyindolenine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26N2O4 |
| InChI | InChI=1S/C21H26N2O4/c1-12(24)14-9-13-10-20(19(25)27-2)17(14)23(11-13)8-7-21(26)15-5-3-4-6-16(15)22-18(20)21/h3-6,12-14,17,24,26H,7-11H2,1-2H3/t12?,13-,14-,17+,20+,21-/m1/s1 |
| InChIKey | BPKMKKDJAWRIOB-MQNTZYBTSA-N |
| Molecular Weight | 370.449 g/mol |
| SMILES | OC([C@]1(C[C@]2(CN3[C@@]1([C@](C=1[C@@](CC3)(c3ccccc3N1)O)(C2)C(=O)OC)[H])[H])[H])C |
| SPLASH | splash10-0fk9-0509000000-a47b19b66d63ed9931fb |
| Source of Spectrum | X2-51-530-10 |
| Wiley ID | 1602744 |