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isocyanic acid, octadecyl ester

View entire compound with spectra: 2 NMR, 6 FTIR, and 2 MS (GC)

isocyanic acid, octadecyl ester
SpectraBase Compound ID 6PJTsOyRDuB
InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3
InChIKey QWDQYHPOSSHSAW-UHFFFAOYSA-N
Mol Weight 295.5 g/mol
Molecular Formula C19H37NO
Exact Mass 295.287515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CX0mrLRKn8J
Name Octadecyl isocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H37NO
InChI InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3
InChIKey QWDQYHPOSSHSAW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.3598
Molecular Weight 295.511 g/mol
SMILES C(CCCCCCCCCCCCN=C=O)CCCCC
SPLASH splash10-0002-9110000000-ab69c0a6b2cdac579364
Source of Spectrum RCM-22-2110-2110_2
Synonyms 1-isocyanatooctadecane
Wiley ID 1814471