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Methyl 4-isothiocyanatobutanoate

View entire compound with spectra: 2 MS (GC)

Methyl 4-isothiocyanatobutanoate
SpectraBase Compound ID 4yqO1Mj8IkT
InChI InChI=1S/C6H9NO2S/c1-9-6(8)3-2-4-7-5-10/h2-4H2,1H3
InChIKey RIAAMQLODIETQE-UHFFFAOYSA-N
Mol Weight 159.2 g/mol
Molecular Formula C6H9NO2S
Exact Mass 159.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjRtKenmFeG
Name 4-isothiocyanatobutanoic acid methyl ester
Alternate Name(s) 4-isothiocyanatobutyric acid methyl ester Methyl 4-isothiocyanatobutanoate
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Formula C6H9NO2S
InChI InChI=1S/C6H9NO2S/c1-9-6(8)3-2-4-7-5-10/h2-4H2,1H3
InChIKey RIAAMQLODIETQE-UHFFFAOYSA-N
Molecular Weight 159.203 g/mol
SMILES C(N=C=S)CCC(=O)OC
SPLASH splash10-05fu-9300000000-26b61bfd297cf1845518
Source of Spectrum LQ-1992-3734-0
Wiley ID 1156028