SpectraBase Spectrum ID |
HJwDwhmx2Sd |
Name |
Triethyl amine, monopicrate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
330.117548929 u |
Formula |
C12H18N4O7 |
InChI |
InChI=1S/C6H3N3O7.C6H15N/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-4-7(5-2)6-3/h1-2,10H;4-6H2,1-3H3 |
InChIKey |
SBIAWDQKKCMZRS-UHFFFAOYSA-N |
Molecular Weight |
330.297 g/mol |
SMILES |
N(=O)(=O)C=1C(=C(C=C(C1)N(=O)=O)N(=O)=O)O.C(N(CC)CC)C |
Spectrum/Structure Validation Score (Raman) |
0.991277 |