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3-Methyltricyclo[6.3.0.0(1,4)]undecan-5-one
SpectraBase Compound ID 6DWOo76H10Q
InChI InChI=1S/C12H18O/c1-8-7-12-6-2-3-9(12)4-5-10(13)11(8)12/h8-9,11H,2-7H2,1H3
InChIKey RFVARPTXVQIQEK-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRSltNkIbNW
Name 3-Methyltricyclo[6.3.0.0(1,4)]undecan-5-one
Alternate Name(s) 2-Methyloctahydrocyclobuta[d]inden-3(1H)-one
CAS Registry Number 138124-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-7-12-6-2-3-9(12)4-5-10(13)11(8)12/h8-9,11H,2-7H2,1H3
InChIKey RFVARPTXVQIQEK-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C123C(C(=O)CCC3CCC1)C(C2)C
SPLASH splash10-0a4i-2900000000-bd9b3a3e828b4911e4e7
Source of Spectrum J-57-1023-19
Wiley ID 1174807