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(1S,3S*,4S*,8R*)-3-methyltricyclo[6.3.0.0(1,4)]undecan-5-one
SpectraBase Compound ID IrC1BkPrdyH
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/t8-,9+,11+,12+/m1/s1
InChIKey RFVARPTXVQIQEK-QCZKYFFMSA-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 CwPhTBB9cxH
Name (1S,3S*,4S*,8R*)-3-methyltricyclo[6.3.0.0(1,4)]undecan-5-one
CAS Registry Number 137946-53-3
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/t8-,9+,11+,12+/m1/s1
InChIKey RFVARPTXVQIQEK-QCZKYFFMSA-N
Molecular Weight 178.275 g/mol
SMILES [C@]123[C@@](C(=O)CC[C@@]3(CCC1)[H])([H])[C@@](C2)(C)[H]
SPLASH splash10-0a4r-5900000000-a6c4fb27f16b7651d60f
Source of Spectrum J-57-1023-11
Synonyms (2R,2aR,5aS,8aS)-2-methyloctahydrocyclobuta[d]inden-3(1H)-one
Wiley ID 1174808