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3-Buten-2-one, 4-(3-chlorophenyl)-, (E)-
SpectraBase Compound ID D0ATPppUpRb
InChI InChI=1S/C10H9ClO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3/b6-5+
InChIKey VWEPXSRBBXPYSM-AATRIKPKSA-N
Mol Weight 180.63 g/mol
Molecular Formula C10H9ClO
Exact Mass 180.034193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AL5UuBRIAGR
Name (3E)-4-(3-Chlorophenyl)-3-buten-2-one
Alternate Name(s) (E)-4-(3-chlorophenyl)-3-buten-2-one (E)-4-(3-chlorophenyl)but-3-en-2-one 3-Chloro-benzalacetone 3-Chlorobenzylideneacetone
CAS Registry Number 20766-36-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9ClO
InChI InChI=1S/C10H9ClO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3/b6-5+
InChIKey VWEPXSRBBXPYSM-AATRIKPKSA-N
Molecular Weight 180.634 g/mol
SMILES c1(\C=C\C(=O)C)cc(Cl)ccc1
SPLASH splash10-0uxr-1900000000-22d2e612bd2c27d5fe7e
Source of Spectrum 0-16-412-1
Wiley ID 1176014