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Isocyanic acid, butyl ester
SpectraBase Compound ID 67SVlQxZaPc
InChI InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
InChIKey HNHVTXYLRVGMHD-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 24DXO7qTjM
Name Butane, 1-isocyanato-
CAS Registry Number 111-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NO
InChI InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
InChIKey HNHVTXYLRVGMHD-UHFFFAOYSA-N
Molecular Weight 99.133 g/mol
SMILES CCCCN=C=O
SPLASH splash10-0006-9000000000-652bbfd499ef1e49b103
Source of Spectrum T-66-122-0
Synonyms 1-Butyl isocyanate 1-Isocyanatobutane BIC Butyl isocyanate Isocyanic acid n-butyl ester Isocyanic acid, butyl ester N-C4H9NCO n-Butyl isocyanate EINECS 203-862-8 HSDB 5548 UN2485
Wiley ID 1119094