| SpectraBase Compound ID | 1u9isRzqQKr |
|---|---|
| InChI | InChI=1S/C10H16N5O12P3.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1 |
| InChIKey | JEKDCIBJADJZSK-OJSHLMAWSA-L |
| Mol Weight | 535.14582456 g/mol |
| Molecular Formula | C10H14N5Na2O12P3 |
| Exact Mass | 534.96472 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 6eIzgDRLpHg |
|---|---|
| Name | 2'-Deoxyadenosine 5'-triphosphate |
| Source of Sample | Sigma-Aldrich Company LLC |
| Catalog Number | D6500 |
| Lot Number | 21H7220 |
| Accessory | DurasamplIR II |
| Apodization Function | Triangular |
| CAS Registry Number | 1927-31-7 |
| Copyright | Copyright © 2019-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H14N5Na2O12P3 |
| InChI | InChI=1S/C10H16N5O12P3.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1 |
| InChIKey | JEKDCIBJADJZSK-OJSHLMAWSA-L |
| Instrument Name | Bio-Rad FTS |
| SMILES | OP(OP(OP(OC[C@@]1([C@](C[C@]([n]2cnc3c2ncnc3N)(O1)[H])(O)[H])[H])(=O)[O-])(=O)O)([O-])=O.[Na+].[Na+] |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat |