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But-3-enyl isocyanoacetate
SpectraBase Compound ID E9T1MmUm67C
InChI InChI=1S/C7H9NO2/c1-3-4-5-10-7(9)6-8-2/h3H,1,4-6H2
InChIKey KMWGHOBXROQNTG-UHFFFAOYSA-N
Mol Weight 139.15 g/mol
Molecular Formula C7H9NO2
Exact Mass 139.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XsdkPKcZCG
Name But-3-enyl isocyanoacetate
Alternate Name(s) But-3-en-1-yl 2-isocyanoacetate But-3-enyl 2-isocyanoacetate But-3-enyl 2-isocyanoethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9NO2
InChI InChI=1S/C7H9NO2/c1-3-4-5-10-7(9)6-8-2/h3H,1,4-6H2
InChIKey KMWGHOBXROQNTG-UHFFFAOYSA-N
Molecular Weight 139.154 g/mol
SMILES C(C[N+]#[C-])(=O)OCCC=C
SPLASH splash10-0aou-9000000000-819064d12aa6d11f5950
Source of Spectrum F-55-2040-18
Wiley ID 836829