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Acetic acid (8R)-Cyano-(6R)-isopropyl-(8aS)-methyl-3-oxo-1,2,3,5,6,7,8,8a-octahydronaphthalene-(2R)-yl ester
SpectraBase Compound ID GLI4abzbt0K
InChI InChI=1S/C17H23NO3/c1-10(2)12-5-13-7-15(20)16(21-11(3)19)8-17(13,4)14(6-12)9-18/h7,10,12,14,16H,5-6,8H2,1-4H3/t12-,14-,16+,17+/m0/s1
InChIKey OJRKSOASVQXTLV-GUDXXQAFSA-N
Mol Weight 289.38 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TYyzUioml
Name Acetic acid (8R)-Cyano-(6R)-isopropyl-(8aS)-methyl-3-oxo-1,2,3,5,6,7,8,8a-octahydronaphthalene-(2R)-yl ester
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Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-10(2)12-5-13-7-15(20)16(21-11(3)19)8-17(13,4)14(6-12)9-18/h7,10,12,14,16H,5-6,8H2,1-4H3/t12-,14-,16+,17+/m0/s1
InChIKey OJRKSOASVQXTLV-GUDXXQAFSA-N
Molecular Weight 289.375 g/mol
SMILES C1=2[C@@](C[C@](C(C2)=O)(OC(=O)C)[H])([C@](C#N)(C[C@](C1)(C(C)C)[H])[H])C
SPLASH splash10-0007-9010000000-f336b95736eed31b0ab4
Source of Spectrum KD-14-2284-12
Synonyms (2R,6R,8R,8aS)-8-cyano-6-isopropyl-8a-methyl-3-oxo-1,2,3,5,6,7,8,8a-octahydro-2-naphthalenyl acetate
Wiley ID 1636195