SpectraBase Spectrum ID |
5X7cv6ISB9C |
Name |
Neopterin |
Source of Sample |
Cayman Chemical Company |
Catalog Number |
12057 |
Lot Number |
0453987-12 |
CAS Registry Number |
2009-64-5 |
Cell Type |
Capillary tube |
Compound Type |
Pure |
Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C9H11N5O4 |
IUPAC Name |
2-Amino-6-[1S,2R,3-trihydroxypropyl]-4(3H)-pteridinone |
InChI |
InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1 |
InChIKey |
BMQYVXCPAOLZOK-XINAWCOVSA-N |
Molecular Weight |
253.218 g/mol |
Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
Raman Laser Power |
1401 mW |
Raman Laser Source |
Nd:YAG |
SMILES |
N1\C=C\([C@@]([C@@](CO)(O)[H])(O)[H])\N=C\2C(=O)\N=C/(\N=C\12)N |
Scans Performed |
4416 |
Source of Spectrum |
Forensic Spectral Research |
Technique |
FT-Raman |