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Decahydro-7-.beta.-hydroxy-6,6,9a.beta.-trimethyl-2-oxo-1-benzoxepin
SpectraBase Compound ID 1kAyj0YOL4U
InChI InChI=1S/C13H22O3/c1-12(2)9-5-4-6-11(15)16-13(9,3)8-7-10(12)14/h9-10,14H,4-8H2,1-3H3/t9-,10-,13-/m0/s1
InChIKey UHRCUPRLUGPVDU-KWBADKCTSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2MyOHcWhha
Name Decahydro-7-.beta.-hydroxy-6,6,9a.beta.-trimethyl-2-oxo-1-benzoxepin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-12(2)9-5-4-6-11(15)16-13(9,3)8-7-10(12)14/h9-10,14H,4-8H2,1-3H3/t9-,10-,13-/m0/s1
InChIKey UHRCUPRLUGPVDU-KWBADKCTSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@]1(CC[C@@]2(OC(=O)CCC[C@]2(C1(C)C)[H])C)[H]
SPLASH splash10-03dl-0900000000-f4c24d45d27ebac249b7
Source of Spectrum J-60-5119-5
Synonyms (7R,9aR)-7-hydroxy-6,6,9a-trimethyloctahydro-1-benzoxepin-2(3H)-one (5aS,7S,9aS)-6,6,9a-trimethyl-7-oxidanyl-4,5,5a,7,8,9-hexahydro-3H-benzo[b]oxepin-2-one
Wiley ID 1227656