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(4S,5S,6aS)-4,5-bis(oxidanyl)-3-phenyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one

View entire compound with spectra: 1 MS (GC)

(4S,5S,6aS)-4,5-bis(oxidanyl)-3-phenyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
SpectraBase Compound ID DrX4wtgEDQw
InChI InChI=1S/C14H14O3/c15-10-6-9-7-11(16)14(17)13(9)12(10)8-4-2-1-3-5-8/h1-5,9,11,14,16-17H,6-7H2/t9-,11+,14-/m1/s1
InChIKey DDIDVFUYHLTTRX-OLUVUFQESA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bDumIAIpE
Name (4S,5S,6aS)-4,5-bis(oxidanyl)-3-phenyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c15-10-6-9-7-11(16)14(17)13(9)12(10)8-4-2-1-3-5-8/h1-5,9,11,14,16-17H,6-7H2/t9-,11+,14-/m1/s1
InChIKey DDIDVFUYHLTTRX-OLUVUFQESA-N
Molecular Weight 230.263 g/mol
SMILES O[C@@]1([C@](C[C@]2(CC(C(=C12)c1ccccc1)=O)[H])(O)[H])[H]
SPLASH splash10-033a-1930000000-2cf9454b2d92054e9dc9
Source of Spectrum KC-0-2910-12
Synonyms (4S,5S,6aS)-4,5-dihydroxy-3-phenyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
Wiley ID 826386