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(Phosphinylidynetrimethylene)tricarbamic acid, trimethyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

(Phosphinylidynetrimethylene)tricarbamic acid, trimethyl ester
SpectraBase Compound ID 5wtDHXD3pgS
InChI InChI=1S/C9H18N3O7P/c1-17-7(13)10-4-20(16,5-11-8(14)18-2)6-12-9(15)19-3/h4-6H2,1-3H3,(H,10,13)(H,11,14)(H,12,15)
InChIKey XSUYDPVDKXUCLQ-UHFFFAOYSA-N
Mol Weight 311.23 g/mol
Molecular Formula C9H18N3O7P
Exact Mass 311.088237 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EVmSJzAdxax
Name (Phosphinylidynetrimethylene)tricarbamic acid, trimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.088236923 u
Formula C9H18N3O7P
InChI InChI=1S/C9H18N3O7P/c1-17-7(13)10-4-20(16,5-11-8(14)18-2)6-12-9(15)19-3/h4-6H2,1-3H3,(H,10,13)(H,11,14)(H,12,15)
InChIKey XSUYDPVDKXUCLQ-UHFFFAOYSA-N
Molecular Weight 311.231 g/mol
SMILES N(CP(CNC(OC)=O)(=O)CNC(=O)OC)C(OC)=O
Spectrum/Structure Validation Score (Raman) 0.723366