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cis-1,2-Dichlorocycloheptene
SpectraBase Compound ID 8k9bwPBmq0U
InChI InChI=1S/C7H12Cl2/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5H2/t6-,7+
InChIKey BDHSQVRDRMHLJT-KNVOCYPGSA-N
Mol Weight 167.08 g/mol
Molecular Formula C7H12Cl2
Exact Mass 166.031606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWJfCZAlXVp
Name cis-1,2-Dichlorocycloheptene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 166.031605786 u
Formula C7H12Cl2
InChI InChI=1S/C7H12Cl2/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5H2/t6-,7+
InChIKey BDHSQVRDRMHLJT-KNVOCYPGSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103316
Molecular Weight 167.079 g/mol
Quality 906
SMILES [C@]1([C@](CCCCC1)(Cl)[H])(Cl)[H]
SPLASH splash10-00kb-9000000000-2d17bb3fdc6413b61c48
Sample Comments dr >95:5
Source of Spectrum QE-27-SM22-2a (DOI: 10.1002/chem.202103316)
Wiley ID 1906057