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Poly(pentadecyl isocyanate)

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

Poly(pentadecyl isocyanate)
SpectraBase Compound ID 8IUS7UmNeBM
InChI InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18(2)20/h4-17H2,1-3H3
InChIKey PPRQSMTXOPFPDQ-UHFFFAOYSA-N
Mol Weight 283.5 g/mol
Molecular Formula C18H37NO
Exact Mass 283.287515 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ANJaINv2aAo
Name Poly(pentadecyl isocyanate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.287514814 u
Formula C18H37NO
InChI InChI=1S/C18H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(3)18(2)20/h4-17H2,1-3H3
InChIKey PPRQSMTXOPFPDQ-UHFFFAOYSA-N
Molecular Weight 283.500 g/mol
Nominal Mass 283 u
SMILES C(CN(C)C(C)=O)CCCCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.891061