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(R,R)-(E)-methyl 2-benzylidene-1-(1-hydroxyethyl)cyclopentanecarboxylate
SpectraBase Compound ID JaqxDcKXrJ2
InChI InChI=1S/C16H20O3/c1-12(17)16(15(18)19-2)10-6-9-14(16)11-13-7-4-3-5-8-13/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3/b14-11+/t12-,16+/m1/s1
InChIKey DPWOPKLPYWFCPI-MJOSUIAZSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jh23X3HE4T
Name (R,R)-(E)-methyl 2-benzylidene-1-(1-hydroxyethyl)cyclopentanecarboxylate
Alternate Name(s) Methyl (R)-2-((E)-benzylidene)-1-((R)-1-hydroxyethyl)cyclopentane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-12(17)16(15(18)19-2)10-6-9-14(16)11-13-7-4-3-5-8-13/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3/b14-11+/t12-,16+/m1/s1
InChIKey DPWOPKLPYWFCPI-MJOSUIAZSA-N
Literature Reference DOI 10.1002/adsc.201600175
Molecular Weight 260.333 g/mol
SMILES O[C@@]([C@@]1(\C(CCC1)=C\c1ccccc1)C(=O)OC)(C)[H]
SPLASH splash10-00lu-2920000000-2bc6a4232f62cc728f8d
Source of Spectrum ASC-358-1820/SM18-46_major
Wiley ID 1807426