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ISOTHIOCYANIC ACID, ISOPROPYL ESTER
SpectraBase Compound ID GpbW2MeGIhC
InChI InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
InChIKey VHBFEIBMZHEWSX-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 3FnuM7zqwqG
Name Isopropylisothiocyanate
Alternate Name(s) 2-Isothiocyanatopropane Isopropyl isothiocyanate Propane, 2-isothiocyanato- EINECS 218-851-3
CAS Registry Number 2253-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H7NS
InChI InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
InChIKey VHBFEIBMZHEWSX-UHFFFAOYSA-N
Molecular Weight 101.167 g/mol
SMILES CC(C)N=C=S
SPLASH splash10-0006-9100000000-ed2a2ecd788f41392b2a
Source of Spectrum EK-1999-130-0
Wiley ID 1120001