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3-Acetyl-2-methyl-7a-phenyl-3a,4,5,6,7,7a-hexahydrobenzofuran
SpectraBase Compound ID KpuadWMO47U
InChI InChI=1S/C17H20O2/c1-12(18)16-13(2)19-17(11-7-6-10-15(16)17)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3/t15-,17+/m0/s1
InChIKey QBAUHSMZQWSMIM-DOTOQJQBSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lrtw6vQJev7
Name 3-Acetyl-2-methyl-7a-phenyl-3a,4,5,6,7,7a-hexahydrobenzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-12(18)16-13(2)19-17(11-7-6-10-15(16)17)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3/t15-,17+/m0/s1
InChIKey QBAUHSMZQWSMIM-DOTOQJQBSA-N
Molecular Weight 256.345 g/mol
SMILES [C@@]12(OC(C)=C([C@@]2(CCCC1)[H])C(=O)C)c1ccccc1
SPLASH splash10-0a4i-0930000000-70910589c20395f1130b
Source of Spectrum KC-0-1490-15
Synonyms (3aS,7aS)-3-Acetyl-2-methyl-7a-phenyl-3a,4,5,6,7,7a-hexahydrobenzofuran 1-(2-Methyl-7a-phenyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl)ethanone
Wiley ID 786052