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Triethyl amine, monopicrate
SpectraBase Compound ID 5cd9ogbBk0L
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
Mol Weight 330.3 g/mol
Molecular Formula C12H18N4O7
Exact Mass 330.117549 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HJwDwhmx2Sd
Name Triethyl amine, monopicrate
Comments Computed using SmartSpectra Model v1.42
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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