| SpectraBase Spectrum ID |
1vCw03khBEl |
| Name |
N6-Benzoyl-2'-deoxyadenosine hydrate |
| Source of Sample |
Sigma-Aldrich Company LLC |
| Catalog Number |
258466 |
| Lot Number |
02728TS |
| CAS Registry Number |
305808-19-9 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H19N5O5 |
| InChI |
InChI=1S/C17H17N5O4.H2O/c23-7-12-11(24)6-13(26-12)22-9-20-14-15(18-8-19-16(14)22)21-17(25)10-4-2-1-3-5-10;/h1-5,8-9,11-13,23-24H,6-7H2,(H,18,19,21,25);1H2/t11-,12+,13+;/m0./s1 |
| InChIKey |
WRMYMWRRSSDKIJ-LUHWTZLKSA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
648 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
OC[C@@]1([C@](C[C@]([n]2c3c(c(ncn3)NC(c3ccccc3)=O)nc2)(O1)[H])(O)[H])[H].O |
| Scans Performed |
2048 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
FT-Raman |
