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4-[(Adamant-1-yl)carbonylmethyl]-3-chlorocyclobut-3-en-1,2-dione
SpectraBase Compound ID ADFVK64Ot1M
InChI InChI=1S/C16H17ClO3/c17-13-11(14(19)15(13)20)4-12(18)16-5-8-1-9(6-16)3-10(2-8)7-16/h8-10H,1-7H2/t8-,9+,10-,16-
InChIKey VMQBOIZAIWZLMS-INLNGIGVSA-N
Mol Weight 292.76 g/mol
Molecular Formula C16H17ClO3
Exact Mass 292.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80zXv56vwxS
Name 4-[(Adamant-1-yl)carbonylmethyl]-3-chlorocyclobut-3-en-1,2-dione
Alternate Name(s) 3-[2-(1-adamantyl)-2-oxoethyl]-4-chloro-3-cyclobutene-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClO3
InChI InChI=1S/C16H17ClO3/c17-13-11(14(19)15(13)20)4-12(18)16-5-8-1-9(6-16)3-10(2-8)7-16/h8-10H,1-7H2/t8-,9+,10-,16-
InChIKey VMQBOIZAIWZLMS-INLNGIGVSA-N
Molecular Weight 292.762 g/mol
SMILES C1(=C(Cl)C(C1=O)=O)CC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O
SPLASH splash10-000i-0910000000-b8a8173af5e2693c644a
Source of Spectrum KC-1993-268-8
Wiley ID 778822