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9-ALPHA-HYDROXYCINNAMOLIDE
SpectraBase Compound ID 5fEfdTZ0enI
InChI InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)11(13)6-5-10-12(16)18-9-15(10,14)17/h5,11,17H,4,6-9H2,1-3H3/t11-,14-,15+/m0/s1
InChIKey OWEYHFSUROKINF-TUKIKUTGSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Havvpc3ymIZ
Name (5aS,9aS,9bS)-6,6,9a-trimethyl-9b-oxidanyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-13(2)7-4-8-14(3)11(13)6-5-10-12(16)18-9-15(10,14)17/h5,11,17H,4,6-9H2,1-3H3/t11-,14-,15+/m0/s1
InChIKey OWEYHFSUROKINF-TUKIKUTGSA-N
Molecular Weight 250.338 g/mol
SMILES O[C@]12C(C(OC2)=O)=CC[C@]2(C(CCC[C@]12C)(C)C)[H]
SPLASH splash10-0adi-0900000000-584340d520c208f94d42
Source of Spectrum X2-52-176-3
Synonyms (5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e]isobenzofuran-3-one (5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-3-one (5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1,5,5a,7,8,9-hexahydrobenz[e]isobenzofuran-3-one
Wiley ID 1603013