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Hydrocinnamoyl chloride
SpectraBase Compound ID 8JGnZ4vuddU
InChI InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey MFEILWXBDBCWKF-UHFFFAOYSA-N
Mol Weight 168.62 g/mol
Molecular Formula C9H9ClO
Exact Mass 168.034193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2cM75Kd5W4
Name Benzenepropanoyl chloride
CAS Registry Number 645-45-4
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 168.034192609 u
Formula C9H9ClO
InChI InChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey MFEILWXBDBCWKF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 168.623 g/mol
Nominal Mass 168 u
Quality 986
Retention Index 1406
SMILES C1(CCC(Cl)=O)=CC=CC=C1
SPLASH splash10-0zfu-9800000000-6003b1586f860920b494
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-phenylpropanoyl chloride
Technique GC/MS
Wiley ID DD2024_032177