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1-[(2R,3S,3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]-1-pentanone
SpectraBase Compound ID JGYppC3Ysdj
InChI InChI=1S/C13H22O3/c1-3-4-7-10(14)12-9-6-5-8-11(9)16-13(12)15-2/h9,11-13H,3-8H2,1-2H3/t9-,11+,12+,13+/m0/s1
InChIKey MLXUNGRVVNVAQQ-WKSBVSIWSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ItDikH86EF
Name 1-[(2R,3S,3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]-1-pentanone
Alternate Name(s) 1-[(2R,3S,3aR,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-4-7-10(14)12-9-6-5-8-11(9)16-13(12)15-2/h9,11-13H,3-8H2,1-2H3/t9-,11+,12+,13+/m0/s1
InChIKey MLXUNGRVVNVAQQ-WKSBVSIWSA-N
Molecular Weight 226.316 g/mol
SMILES [C@@]1([C@@](O[C@]2([C@@]1(CCC2)[H])[H])(OC)[H])(C(=O)CCCC)[H]
SPLASH splash10-004j-0590000000-caaa407f688d3b8474df
Source of Spectrum F-55-10130-13
Wiley ID 838881