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(+-)-(3aRS,5RS,6aRS,7SR,9aRS)-7-Methyl-5-phenyloctahydrodicyclopenta[d,e][1,3]dioxine
SpectraBase Compound ID CLCRSu5jM2S
InChI InChI=1S/C17H22O2/c1-12-9-11-17-10-5-8-14(17)18-16(19-15(12)17)13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3/t12-,14+,15+,16+,17+/m0/s1
InChIKey UTRGKKJTMFAKNJ-IIHMKKKESA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rN9fiPCoS
Name (+-)-(3aRS,5RS,6aRS,7SR,9aRS)-7-Methyl-5-phenyloctahydrodicyclopenta[d,e][1,3]dioxine
Alternate Name(s) (3aRS,5RS,6aRS,7SR,9aRS)-7-Methyl-5-phenyl-(octahydro)dicyclopenta[d,e]-(1,3)-dioxine (3aRS,5SR,6aRS,7SR,9aRS)-7-Methyl-5-phenyl-(octahydro)dicyclopenta[d,e]-(1,3)-dioxine
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Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-12-9-11-17-10-5-8-14(17)18-16(19-15(12)17)13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3/t12-,14+,15+,16+,17+/m0/s1
InChIKey UTRGKKJTMFAKNJ-IIHMKKKESA-N
Molecular Weight 258.361 g/mol
SMILES [C@@]123[C@](O[C@@](O[C@@]3(CCC1)[H])(c1ccccc1)[H])([C@@](C)(CC2)[H])[H]
SPLASH splash10-001l-9800000000-ccefcc54fb45703b3335
Source of Spectrum Y2-26-529-4
Wiley ID 1547230