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Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(chloroacetyl)-
SpectraBase Compound ID 8n76PdVRTCG
InChI InChI=1S/C12H13ClO3/c13-4-9(14)10-7-2-5-1-6(12(7)16)3-8(10)11(5)15/h5-8,10H,1-4H2
InChIKey KCXJSZZZMDFAAD-UHFFFAOYSA-N
Mol Weight 240.69 g/mol
Molecular Formula C12H13ClO3
Exact Mass 240.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B43RHFwH1MC
Name Tricyclo[3.3.1.1(3,7)]decane-2,6-dione, 4-(chloroacetyl)-
Alternate Name(s) 4-(Chloroacetyl)-2,6-adamantanedione 4-(2-Chloranylethanoyl)adamantane-2,6-dione 4-(2-Chloro-1-oxoethyl)adamantane-2,6-dione 4-(2-Chloroacetyl)adamantane-2,6-dione 4-(2-Chloroacetyl)adamantane-2,6-quinone
CAS Registry Number 56728-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClO3
InChI InChI=1S/C12H13ClO3/c13-4-9(14)10-7-2-5-1-6(12(7)16)3-8(10)11(5)15/h5-8,10H,1-4H2
InChIKey KCXJSZZZMDFAAD-UHFFFAOYSA-N
Molecular Weight 240.686 g/mol
SMILES C(CCl)(=O)C1C2C(=O)C3CC1C(=O)C(C2)C3
SPLASH splash10-054o-9420000000-680378abde38ee6dae4a
Source of Spectrum EP-6365-0-0
Wiley ID 1242610