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(3R,1'R,2'R)-2'-Hydroxymethyl-1'-methyl-3-cyclopentan-4'-one-2-propenyl-3-benzoate
SpectraBase Compound ID 99HLgvqbXWh
InChI InChI=1S/C17H20O4/c1-3-15(17(2)10-14(19)9-13(17)11-18)21-16(20)12-7-5-4-6-8-12/h3-8,13,15,18H,1,9-11H2,2H3/t13-,15?,17+/m1/s1
InChIKey NUFLHLHFYCFCFU-OJKDSEEBSA-N
Mol Weight 288.34 g/mol
Molecular Formula C17H20O4
Exact Mass 288.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yCkkxRQ9fO
Name (3R,1'R,2'R)-2'-Hydroxymethyl-1'-methyl-3-cyclopentan-4'-one-2-propenyl-3-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O4
InChI InChI=1S/C17H20O4/c1-3-15(17(2)10-14(19)9-13(17)11-18)21-16(20)12-7-5-4-6-8-12/h3-8,13,15,18H,1,9-11H2,2H3/t13-,15?,17+/m1/s1
InChIKey NUFLHLHFYCFCFU-OJKDSEEBSA-N
Molecular Weight 288.343 g/mol
SMILES OC[C@@]1([C@@](C(OC(=O)c2ccccc2)C=C)(CC(=O)C1)C)[H]
SPLASH splash10-0aor-0900000000-dca27fb4e7c04d7a666d
Source of Spectrum J-63-8529-28
Wiley ID 1291853