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3a,9a-Methano-1H-cyclopentacycloocten-1-one, octahydro-
SpectraBase Compound ID 1doHAKjZBRt
InChI InChI=1S/C12H18O/c13-10-5-8-11-6-3-1-2-4-7-12(10,11)9-11/h1-9H2
InChIKey PSARCRDQNKTNFM-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 Lhbuy4WujzS
Name 3a,9a-Methano-1H-cyclopentacycloocten-1-one, octahydro-
Alternate Name(s) Octahydro-3a,9a-methano-1H-cyclopentacycloocten-1-one Tricyclo[6.3.1.0(1,8)]dodecan-9-one
CAS Registry Number 89398-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c13-10-5-8-11-6-3-1-2-4-7-12(10,11)9-11/h1-9H2
InChIKey PSARCRDQNKTNFM-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C123C(CCC3=O)(CCCCCC1)C2
SPLASH splash10-004i-4900000000-fe561e26bf8f96e11d4a
Source of Spectrum J-49-2014-0
Wiley ID 1174635