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(1S,2R,3R,5R)-1,5-Diacetoxy-2-methyl-1-phenylmethoxycyclohexane
SpectraBase Compound ID EotZXITPfzj
InChI InChI=1S/C18H24O5/c1-12-17(21-11-15-7-5-4-6-8-15)9-16(22-13(2)19)10-18(12)23-14(3)20/h4-8,12,16-18H,9-11H2,1-3H3/t12-,16-,17-,18+/m1/s1
InChIKey HIGDUYBXZGAOGG-BTPDRXCOSA-N
Mol Weight 320.39 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfYjATGq7zG
Name (1S,2R,3R,5R)-1,5-Diacetoxy-2-methyl-1-phenylmethoxycyclohexane
Alternate Name(s) (1R,3S,4R)-3-(acetyloxy)-3-(benzyloxy)-4-methylcyclohexyl acetate (1S,2R,3R,5R)-3,5-Diacetoxy-2-methyl-1-phenylmethoxycyclohexane
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Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-12-17(21-11-15-7-5-4-6-8-15)9-16(22-13(2)19)10-18(12)23-14(3)20/h4-8,12,16-18H,9-11H2,1-3H3/t12-,16-,17-,18+/m1/s1
InChIKey HIGDUYBXZGAOGG-BTPDRXCOSA-N
Molecular Weight 320.385 g/mol
SMILES [C@@]1([C@@]([C@](OCc2ccccc2)(C[C@](C1)(OC(=O)C)[H])[H])(C)[H])(OC(=O)C)[H]
SPLASH splash10-0006-9300000000-98f471ecb17299948d51
Source of Spectrum F-53-100-14
Wiley ID 799911