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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 Hx8ZKpFCeg1
Name 1-Isocyanatooctadecane
CAS Registry Number 112-96-9
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
Molecular Weight 295.511 g/mol
SMILES CCCCCCCCCCCCCCCCCCN=C=O
SPLASH splash10-06r5-9200000000-d0f6b562223a918a3780
Source of Spectrum W6-27450-0-0
Synonyms 1-Octadecyl isocyanate Baykanol OI Bykanol OI Isocyanic acid, octadecyl ester Millionate O Mondur O n-Octadecyl isocyanate Octadecane, 1-isocyanato- Octadecyl isocyanate Stearyl isocyanate Tonco-70 BRN 1791451 EINECS 204-019-7 NSC 66466
Wiley ID 109440