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isocyanic acid, tert-butyl ester
SpectraBase Compound ID DghPJF4mB28
InChI InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3
InChIKey MGOLNIXAPIAKFM-UHFFFAOYSA-N
Mol Weight 99.13 g/mol
Molecular Formula C5H9NO
Exact Mass 99.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPSn0OXDokx
Name Propane, 2-isocyanato-2-methyl-
Alternate Name(s) 2-Isocyanato-2-methylpropane 1,1-Dimethylethyl isocyanate Isocyanic acid, tert-butyl ester t-Butylisocyanate T-C4H9NCO tert-Butyl Isocyanate CCRIS 3590 EINECS 216-544-9 UN2484
CAS Registry Number 1609-86-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NO
InChI InChI=1S/C5H9NO/c1-5(2,3)6-4-7/h1-3H3
InChIKey MGOLNIXAPIAKFM-UHFFFAOYSA-N
Molecular Weight 99.133 g/mol
SMILES CC(C)(C)N=C=O
SPLASH splash10-001i-9000000000-d38dbe3be3f1c02179f2
Source of Spectrum HE-1982-0-0
Wiley ID 1119098