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isocyanic acid, hexyl ester

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

isocyanic acid, hexyl ester
SpectraBase Compound ID DyVqAUrtan9
InChI InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey ANJPRQPHZGHVQB-UHFFFAOYSA-N
Mol Weight 127.19 g/mol
Molecular Formula C7H13NO
Exact Mass 127.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4x6LFF6ZQ52
Name 1-Isocyanatohexane
Alternate Name(s) 1-Hexyl isocyanate Hexane, 1-isocyanato- Hexyl isocyanate n-Hexyl isocyanate EINECS 219-763-8
CAS Registry Number 2525-62-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO
InChI InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey ANJPRQPHZGHVQB-UHFFFAOYSA-N
Molecular Weight 127.187 g/mol
SMILES CCCCCCN=C=O
SPLASH splash10-054p-9000000000-733cdef93c3b93f7c168
Source of Spectrum W6-3801-0-0
Wiley ID 81381