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Ethyl 4-isothiocyanatobutanoate
SpectraBase Compound ID 9aSNKsYfFQf
InChI InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3
InChIKey FAGABVVHWPYGBK-UHFFFAOYSA-N
Mol Weight 173.23 g/mol
Molecular Formula C7H11NO2S
Exact Mass 173.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8p4IfuDrhCg
Name Ethyl 4-isothiocyanatobutanoate
Alternate Name(s) 4-Isothiocyanatobutanoic acid ethyl ester 4-isothiocyanatobutyric acid ethyl ester Butanoic acid, 4-isothiocyanato-, ethyl ester E-4IB Ethyl 4-isothiocyanatobutyrate
CAS Registry Number 17126-65-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO2S
InChI InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3
InChIKey FAGABVVHWPYGBK-UHFFFAOYSA-N
Molecular Weight 173.230 g/mol
SMILES CCOC(=O)CCCN=C=S
SPLASH splash10-01ti-9600000000-28fa4504c32320be0542
Source of Spectrum LQ-1992-3733-0
Wiley ID 1169615