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Methyl (1S,2R,5S)-2-Methyl-3-oxo-5-(prop-1-en-2-yl)cyclopentanecarboxylate
SpectraBase Compound ID DJyK3S4ls7B
InChI InChI=1S/C11H16O3/c1-6(2)8-5-9(12)7(3)10(8)11(13)14-4/h7-8,10H,1,5H2,2-4H3/t7-,8+,10+/m0/s1
InChIKey QZNLUPWQHQOWHQ-QXFUBDJGSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DjA70lepVR
Name Methyl (1S,2R,5S)-2-Methyl-3-oxo-5-(prop-1-en-2-yl)cyclopentanecarboxylate
Alternate Name(s) (1S,2R,5S)-methyl 2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclopentanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-6(2)8-5-9(12)7(3)10(8)11(13)14-4/h7-8,10H,1,5H2,2-4H3/t7-,8+,10+/m0/s1
InChIKey QZNLUPWQHQOWHQ-QXFUBDJGSA-N
Literature Reference DOI 10.1002/cbdv.201400038
Molecular Weight 196.246 g/mol
SMILES [C@@]1([C@](C(C[C@@]1(C(=C)C)[H])=O)(C)[H])(C(=O)OC)[H]
SPLASH splash10-014i-9200000000-6719fbf0d1d0709b49a5
Source of Spectrum CBD-11-1532-8a
Wiley ID 1771267