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(3a.alpha.,8a.alpha.)-3.beta.-methyloctahydro-2H-cyclohepta[b]furan-2-one
SpectraBase Compound ID GpTskpPEPWQ
InChI InChI=1S/C10H16O2/c1-7-8-5-3-2-4-6-9(8)12-10(7)11/h7-9H,2-6H2,1H3/t7-,8+,9+/m0/s1
InChIKey XMMHTFRZLRLVRL-DJLDLDEBSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfFEJKKzAso
Name (3a.alpha.,8a.alpha.)-3.beta.-methyloctahydro-2H-cyclohepta[b]furan-2-one
Alternate Name(s) (3S,3aR,8aR)-3-methyloctahydro-2H-cyclohepta[b]furan-2-one
CAS Registry Number 107172-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7-8-5-3-2-4-6-9(8)12-10(7)11/h7-9H,2-6H2,1H3/t7-,8+,9+/m0/s1
InChIKey XMMHTFRZLRLVRL-DJLDLDEBSA-N
Molecular Weight 168.236 g/mol
SMILES C1(O[C@@]2(CCCCC[C@@]2([C@@]1(C)[H])[H])[H])=O
SPLASH splash10-0002-9100000000-be0d19675c1aeba5fe20
Source of Spectrum J-52-1437-17
Wiley ID 1164865