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(3aS,5R)-1,5,8-trimethyl-7-oxidanyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
SpectraBase Compound ID KY0AnZi4TCf
InChI InChI=1S/C15H16O3/c1-7-5-13-14(9(3)15(17)18-13)11-4-8(2)12(16)6-10(7)11/h4,6-7,13,16H,5H2,1-3H3/t7-,13+/m1/s1
InChIKey CNHPRYNNWGQLLZ-UHLUBPPHSA-N
Mol Weight 244.29 g/mol
Molecular Formula C15H16O3
Exact Mass 244.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gr1br1wd3DC
Name (3aS,5R)-1,5,8-trimethyl-7-oxidanyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O3
InChI InChI=1S/C15H16O3/c1-7-5-13-14(9(3)15(17)18-13)11-4-8(2)12(16)6-10(7)11/h4,6-7,13,16H,5H2,1-3H3/t7-,13+/m1/s1
InChIKey CNHPRYNNWGQLLZ-UHLUBPPHSA-N
Molecular Weight 244.290 g/mol
SMILES Oc1c(cc2C3=C(C(=O)O[C@]3(C[C@@](C)(c2c1)[H])[H])C)C
SPLASH splash10-002f-1590000000-535c9ae41ad669193945
Source of Spectrum F-47-5467-1
Synonyms (3aS,5R)-7-hydroxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e]benzofuran-2-one (3aS,5R)-7-hydroxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
Wiley ID 1247332