SpectraBase Compound ID | 97fUSVuudaY |
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InChI | 1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3 |
InChIKey | GFLXBRUGMACJLQ-UHFFFAOYSA-N |
Mol Weight | 267.5 g/mol |
Molecular Formula | C17H33NO |
Exact Mass | 267.256215 g/mol |
SpectraBase Spectrum ID | EkCwyT1DwAr |
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Name | Hexadecyl isocyanate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 267.256214686 u |
Formula | C17H33NO |
InChI | InChI=1S/C17H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19/h2-16H2,1H3 |
InChIKey | GFLXBRUGMACJLQ-UHFFFAOYSA-N |
Molecular Weight | 267.457 g/mol |
SMILES | C(N=C=O)CCCCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Raman) | 0.836947 |