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Methyl (1S,2R,3S,5S)-3-Acetoxy-2-methyl-5-(prop-1-en-2-yl)cyclopentanecarboxylate
SpectraBase Compound ID FxDmueEyaPi
InChI InChI=1S/C13H20O4/c1-7(2)10-6-11(17-9(4)14)8(3)12(10)13(15)16-5/h8,10-12H,1,6H2,2-5H3/t8-,10+,11-,12+/m0/s1
InChIKey CNWPSZZQNLPMIY-ZDDJMSTPSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8icqWG1dXo2
Name Methyl (1S,2R,3S,5S)-3-Acetoxy-2-methyl-5-(prop-1-en-2-yl)cyclopentanecarboxylate
Alternate Name(s) (1S,2R,3S,5S)-methyl 3-acetoxy-2-methyl-5-(prop-1-en-2-yl)cyclopentanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-7(2)10-6-11(17-9(4)14)8(3)12(10)13(15)16-5/h8,10-12H,1,6H2,2-5H3/t8-,10+,11-,12+/m0/s1
InChIKey CNWPSZZQNLPMIY-ZDDJMSTPSA-N
Literature Reference DOI 10.1002/cbdv.201400038
Molecular Weight 240.299 g/mol
SMILES [C@@]1([C@]([C@](C[C@@]1(C(=C)C)[H])(OC(=O)C)[H])(C)[H])(C(=O)OC)[H]
SPLASH splash10-00di-3900000000-fe664c12a8b2c67eff0c
Source of Spectrum CBD-11-1531-7a
Wiley ID 1771266