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isothiocyanic acid, propyl ester
SpectraBase Compound ID EQBbkdkPiVx
InChI InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey KKASGUHLXWAKEZ-UHFFFAOYSA-N
Mol Weight 101.17 g/mol
Molecular Formula C4H7NS
Exact Mass 101.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Svov87NaeO
Name Propane, 1-isothiocyanato-
Alternate Name(s) 1-Isothiocyanatopropane Isothiocyanic acid n-propyl ester Isothiocyanic acid, propyl ester n-Propyl isothiocyanate Propyl isothiocyanate AI3-37783 EINECS 211-035-8
CAS Registry Number 628-30-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H7NS
InChI InChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey KKASGUHLXWAKEZ-UHFFFAOYSA-N
Molecular Weight 101.167 g/mol
SMILES CCCN=C=S
SPLASH splash10-0006-9200000000-97399c6701eda62ae553
Source of Spectrum JZ-1992-4245-0
Wiley ID 1119997