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Perhydro-3a,6-methano-cyclopentacyclooctan-10-one
SpectraBase Compound ID 7ue9tv5JWb3
InChI InChI=1S/C12H18O/c13-11-9-3-1-4-10-5-2-7-12(10,11)8-6-9/h9-10H,1-8H2/t9-,10?,12-/m1/s1
InChIKey VEZYFLBMMNGCMZ-UPCOPKIUSA-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 9Dsgc2e3uFg
Name Perhydro-3a,6-methano-cyclopentacyclooctan-10-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c13-11-9-3-1-4-10-5-2-7-12(10,11)8-6-9/h9-10H,1-8H2/t9-,10?,12-/m1/s1
InChIKey VEZYFLBMMNGCMZ-UPCOPKIUSA-N
Molecular Weight 178.275 g/mol
SMILES [C@@]123C([C@](CCCC3CCC1)(CC2)[H])=O
SPLASH splash10-004i-9500000000-987f141181b0d7d906ba
Source of Spectrum C-118-2870-41a-H2
Wiley ID 1698504