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2-(4-Chlorobutyl)-1,4-cyclohex-2-enedione-4-monoethylene acetal
SpectraBase Compound ID IWwRaTM8N5
InChI InChI=1S/C12H17ClO3/c13-6-2-1-3-10-9-12(5-4-11(10)14)15-7-8-16-12/h9H,1-8H2
InChIKey BOFVVGJBPPADJA-UHFFFAOYSA-N
Mol Weight 244.72 g/mol
Molecular Formula C12H17ClO3
Exact Mass 244.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94MroyocA9M
Name 2-(4-Chlorobutyl)-1,4-cyclohex-2-enedione-4-monoethylene acetal
Alternate Name(s) 7-(4-Chloro-butyl)-1,4-dioxa-spiro[4.5]dec-6-en-8-one 7-(4-Chloranylbutyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
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Formula C12H17ClO3
InChI InChI=1S/C12H17ClO3/c13-6-2-1-3-10-9-12(5-4-11(10)14)15-7-8-16-12/h9H,1-8H2
InChIKey BOFVVGJBPPADJA-UHFFFAOYSA-N
Molecular Weight 244.718 g/mol
SMILES C12(C=C(C(=O)CC2)CCCCCl)OCCO1
SPLASH splash10-0uxr-0960000000-15d52056e4d0ae4f2f4a
Source of Spectrum F-65-5718-5
Wiley ID 1679883