| SpectraBase Spectrum ID |
IPd4ImEPLFL |
| Name |
(+)-(S)-6-(4-ethyl-3,8,10-trimethyl-2-oxo-1,11-dihydrodipyrrin-9-yl)heptanoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.225642831 u |
| Formula |
C21H30N2O3 |
| InChI |
InChI=1S/C21H30N2O3/c1-6-16-13(3)21(26)23-18(16)11-17-14(4)20(15(5)22-17)12(2)9-7-8-10-19(24)25/h11-12,22H,6-10H2,1-5H3,(H,23,26)(H,24,25)/b18-11-/t12-/m0/s1 |
| InChIKey |
LZMHSDZAJNAQOC-SJWFJVLYSA-N |
| Molecular Weight |
358.482 g/mol |
| SMILES |
C=1(NC(C)=C(C1C)[C@](CCCCC(=O)O)(C)[H])\C=C\1NC(=O)C(=C1CC)C |
