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1-Octyl isocyanate
SpectraBase Compound ID Aw8MX39UCr6
InChI InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChIKey DYQFCTCUULUMTQ-UHFFFAOYSA-N
Mol Weight 155.24 g/mol
Molecular Formula C9H17NO
Exact Mass 155.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID k14W7NCcu1
Name Octane, 1-isocyanato-
Alternate Name(s) 1-Isocyanatooctane 1-Octyl isocyanate Isocyanic acid, octyl ester n-Octyl isocyanate Octyl isocyanate EINECS 221-598-1
CAS Registry Number 3158-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17NO
InChI InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChIKey DYQFCTCUULUMTQ-UHFFFAOYSA-N
Molecular Weight 155.241 g/mol
SMILES CCCCCCCCN=C=O
SPLASH splash10-056u-9000000000-1bdb3facd08dffd7e1dd
Source of Spectrum DC-0-11-7
Wiley ID 11528