For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Butane, 2-isocyanato-
SpectraBase Compound ID 8YOlO787VB
InChI InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h5H,3H2,1-2H3
InChIKey DUUSMHZSZWMNCB-UHFFFAOYSA-N
Mol Weight 99.13 g/mol
Molecular Formula C5H9NO
Exact Mass 99.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ICDp0kmYDQK
Name Butane, 2-isocyanato-
Alternate Name(s) 2-Isocyanatobutane Isocyanic acid, sec-butyl ester sec-Butyl Isocyanate Secondary butyl isocyanate
CAS Registry Number 15585-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NO
InChI InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h5H,3H2,1-2H3
InChIKey DUUSMHZSZWMNCB-UHFFFAOYSA-N
Molecular Weight 99.133 g/mol
SMILES CCC(C)N=C=O
SPLASH splash10-00di-9000000000-a06dac0d79b1e1fd2512
Source of Spectrum T-66-126-0
Wiley ID 1119096