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Hexadecyl isocyanate

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 MS (GC)

Hexadecyl isocyanate
SpectraBase Compound ID 97fUSVuudaY
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FibJakWU75p
Name Hexadecyl isocyanate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/rcm.3598
Molecular Weight 267.457 g/mol
SMILES C(CCCCCCCCCCCCN=C=O)CCC
SPLASH splash10-0002-9200000000-8796dfbd860f28143c2f
Source of Spectrum RCM-22-2110-2110_1
Synonyms 1-isocyanatohexadecane
Wiley ID 1814470