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2-Propenethioamide, N,N-diethyl-3-phenyl-, (E)-
SpectraBase Compound ID 4pd0MaJ5RYv
InChI InChI=1S/C13H17NS/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKey WURNLGLPDQUHER-ZHACJKMWSA-N
Mol Weight 219.35 g/mol
Molecular Formula C13H17NS
Exact Mass 219.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iu4pkdeugcU
Name 2-Propenethioamide, N,N-diethyl-3-phenyl-, (E)-
Alternate Name(s) (2E)-N,N-diethyl-3-phenyl-2-propenethioamide (E)-N,N-diethyl-3-phenyl-propenthioamide
CAS Registry Number 80095-86-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NS
InChI InChI=1S/C13H17NS/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKey WURNLGLPDQUHER-ZHACJKMWSA-N
Molecular Weight 219.346 g/mol
SMILES C(\C=C\c1ccccc1)(=S)N(CC)CC
SPLASH splash10-00kb-0980000000-6feb8fe42d66a0597d58
Source of Spectrum SB-35-245-0
Wiley ID 1218979