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1-Dodecyl isocyanate

View entire compound with spectra: 3 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

1-Dodecyl isocyanate
SpectraBase Compound ID 5cqYKQdTile
InChI InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3
InChIKey YIDSTEJLDQMWBR-UHFFFAOYSA-N
Mol Weight 211.35 g/mol
Molecular Formula C13H25NO
Exact Mass 211.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDBrxdijk6H
Name 1-Isocyanatododecane
CAS Registry Number 4202-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H25NO
InChI InChI=1S/C13H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3
InChIKey YIDSTEJLDQMWBR-UHFFFAOYSA-N
Molecular Weight 211.349 g/mol
SMILES CCCCCCCCCCCCN=C=O
SPLASH splash10-052g-9100000000-15b5725c33df5066e4e8
Source of Spectrum W6-17708-0-0
Synonyms Dodecane, 1-isocyanato- Dodecyl isocyanate EINECS 224-111-0
Wiley ID 94445