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N,N-dimethyl-2-phenylcrotonamidinium thiocyanate
SpectraBase Compound ID HWUyeP4pjA9
InChI InChI=1S/C12H16N2.CHNS/c1-4-11(12(13)14(2)3)10-8-6-5-7-9-10;2-1-3/h4-9,13H,1-3H3;3H/b11-4+,13-12?;
InChIKey SGYPGUPTFGGFOR-OWPIVYALSA-N
Mol Weight 247.36 g/mol
Molecular Formula C13H17N3S
Exact Mass 247.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RFm8GglhLq
Name N,N-dimethyl-2-phenylcrotonamidinium thiocyanate
Alternate Name(s) (2E)-1-(dimethylamino)-2-phenyl-2-buten-1-iminium thiocyanate
CAS Registry Number 116437-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3S
InChI InChI=1S/C12H16N2.CHNS/c1-4-11(12(13)14(2)3)10-8-6-5-7-9-10;2-1-3/h4-9,13H,1-3H3;3H/b11-4+,13-12?;
InChIKey SGYPGUPTFGGFOR-OWPIVYALSA-N
Molecular Weight 247.360 g/mol
SMILES C(#N)[S-].[NH2+]=C(\C(c1ccccc1)=C\C)N(C)C
SPLASH splash10-00y3-3900000000-1946e79d32fe4c1d419d
Source of Spectrum J-53-5300-9
Wiley ID 1249994