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Tetracyclo[5.3.1.1(2,6).0(4,9)]dodecan-3-one
SpectraBase Compound ID BaqpRyaQuGR
InChI InChI=1S/C12H16O/c13-12-10-4-7-5-11(12)9-2-6(7)1-8(10)3-9/h6-11H,1-5H2/t6-,7+,8+,9-,10+,11-
InChIKey VKCBYRUKNAZKCS-MXULBQIISA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CitXZXvLL4y
Name Tetracyclo[5.3.1.1(2,6).0(4,9)]dodecan-3-one
CAS Registry Number 57790-48-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c13-12-10-4-7-5-11(12)9-2-6(7)1-8(10)3-9/h6-11H,1-5H2/t6-,7+,8+,9-,10+,11-
InChIKey VKCBYRUKNAZKCS-MXULBQIISA-N
Molecular Weight 176.259 g/mol
SMILES [C@@]12([C@]3(C[C@]4([C@@](C2)(C[C@@](C1=O)([C@](C4)(C3)[H])[H])[H])[H])[H])[H]
SPLASH splash10-004l-9500000000-aba3d0ec4a0559489666
Wiley ID 1477670