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1-Chloro-4-isopropylamino-4-phenylbut-3-en-2-one
SpectraBase Compound ID AH3xvttZbAe
InChI InChI=1S/C13H16ClNO/c1-10(2)15-13(8-12(16)9-14)11-6-4-3-5-7-11/h3-8,10,15H,9H2,1-2H3/b13-8-
InChIKey GMWRUWDRNKGGTL-JYRVWZFOSA-N
Mol Weight 237.73 g/mol
Molecular Formula C13H16ClNO
Exact Mass 237.092042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hBbqrD92u
Name 1-Chloro-4-isopropylamino-4-phenylbut-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClNO
InChI InChI=1S/C13H16ClNO/c1-10(2)15-13(8-12(16)9-14)11-6-4-3-5-7-11/h3-8,10,15H,9H2,1-2H3/b13-8-
InChIKey GMWRUWDRNKGGTL-JYRVWZFOSA-N
Literature Reference DOI 10.1021/ol802260w
Molecular Weight 237.730 g/mol
SMILES N(C(C)C)\C(=C/C(=O)CCl)c1ccccc1
SPLASH splash10-0f9i-1900000000-b7f5bdced735b415cd11
Source of Spectrum A1-10-5469/SMS23-10
Synonyms (Z)-1-chloro-4-(isopropylamino)-4-phenylbut-3-en-2-one
Wiley ID 1760076