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2-(4-Chlorobutyl)-1,4-cyclohexanedione-4-monoethylene acetal
SpectraBase Compound ID 6rq4JOcmcSH
InChI InChI=1S/C12H19ClO3/c13-6-2-1-3-10-9-12(5-4-11(10)14)15-7-8-16-12/h10H,1-9H2
InChIKey KZWYNYZEGZKWGE-UHFFFAOYSA-N
Mol Weight 246.73 g/mol
Molecular Formula C12H19ClO3
Exact Mass 246.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtHUEbPxntQ
Name 2-(4-Chlorobutyl)-1,4-cyclohexanedione-4-monoethylene acetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19ClO3
InChI InChI=1S/C12H19ClO3/c13-6-2-1-3-10-9-12(5-4-11(10)14)15-7-8-16-12/h10H,1-9H2
InChIKey KZWYNYZEGZKWGE-UHFFFAOYSA-N
Molecular Weight 246.734 g/mol
SMILES C12(CC(CCCCCl)C(CC2)=O)OCCO1
SPLASH splash10-0002-9200000000-093d8abbc1766e6565e8
Source of Spectrum F-65-5718-4
Synonyms 7-(4-Chloro-butyl)-1,4-dioxa-spiro[4.5]decan-8-one
Wiley ID 1679884