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1-Methyl-3-(phenylmethyl)-1-(propan-2-ylideneamino)thiourea
SpectraBase Compound ID DknDJYL8ydZ
InChI InChI=1S/C12H17N3S/c1-10(2)14-15(3)12(16)13-9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,13,16)
InChIKey QXIFSIMGEWPQAG-UHFFFAOYSA-N
Mol Weight 235.35 g/mol
Molecular Formula C12H17N3S
Exact Mass 235.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zKGWTTnmko
Name 1-Methyl-3-(phenylmethyl)-1-(propan-2-ylideneamino)thiourea
Alternate Name(s) 3-Benzyl-1-(isopropylideneamino)-1-methyl-thiourea 3-Benzyl-1-methyl-1-(propan-2-ylideneamino)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N3S
InChI InChI=1S/C12H17N3S/c1-10(2)14-15(3)12(16)13-9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,13,16)
InChIKey QXIFSIMGEWPQAG-UHFFFAOYSA-N
Molecular Weight 235.349 g/mol
SMILES N(C(N(N=C(C)C)C)=S)Cc1ccccc1
SPLASH splash10-054x-9340000000-79bf6f1f184c028ebfc5
Source of Spectrum F-49-1262-17
Wiley ID 1237053