| SpectraBase Compound ID | CajXa80jd7W |
|---|---|
| InChI | InChI=1S/C22H36N2O3/c1-3-4-5-12-21(27)23-13-8-15-24-14-7-10-18(24)16-20(26)22-17(2)9-6-11-19(22)25/h6,9,11,18,20,25-26H,3-5,7-8,10,12-16H2,1-2H3,(H,23,27) |
| InChIKey | TTZVAFYPYONKNJ-UHFFFAOYSA-N |
| Mol Weight | 376.5 g/mol |
| Molecular Formula | C22H36N2O3 |
| Exact Mass | 376.272593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 518CFsz8im |
|---|---|
| Name | Dihydro-peripentadenine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.272593024 u |
| Formula | C22H36N2O3 |
| InChI | InChI=1S/C22H36N2O3/c1-3-4-5-12-21(27)23-13-8-15-24-14-7-10-18(24)16-20(26)22-17(2)9-6-11-19(22)25/h6,9,11,18,20,25-26H,3-5,7-8,10,12-16H2,1-2H3,(H,23,27) |
| InChIKey | TTZVAFYPYONKNJ-UHFFFAOYSA-N |
| Molecular Weight | 376.541 g/mol |
| SMILES | C(C=1C(O)=CC=CC1C)(CC1N(CCCNC(=O)CCCCC)CCC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944325 |