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(4R,4aS) Hexahydro-7-benzyl-.alpha.,4-dimethylnaphthalene-1-acetic Acid
SpectraBase Compound ID AYaZ7SW7gCT
InChI InChI=1S/C21H26O2/c1-14-8-10-19(15(2)21(22)23)20-13-17(9-11-18(14)20)12-16-6-4-3-5-7-16/h3-7,13-15,18H,8-12H2,1-2H3,(H,22,23)/t14-,15-,18+/m1/s1
InChIKey PERVGEXUJYTHQX-RKVPGOIHSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8rAXMa54TU
Name (4R,4aS) Hexahydro-7-benzyl-.alpha.,4-dimethylnaphthalene-1-acetic Acid
Alternate Name(s) (2R)-2-[(4R,4aS)-7-benzyl-4-methyl-2,3,4,4a,5,6-hexahydro-1-naphthalenyl]propanoic acid Hexahydro-7-benzyl-.alpha.,4-dimethylnaphthalene-1-acetic Acid
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Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-14-8-10-19(15(2)21(22)23)20-13-17(9-11-18(14)20)12-16-6-4-3-5-7-16/h3-7,13-15,18H,8-12H2,1-2H3,(H,22,23)/t14-,15-,18+/m1/s1
InChIKey PERVGEXUJYTHQX-RKVPGOIHSA-N
Molecular Weight 310.437 g/mol
SMILES OC([C@@](C1=C2[C@@](CCC(=C2)Cc2ccccc2)([C@@](CC1)(C)[H])[H])(C)[H])=O
SPLASH splash10-02td-5494000000-186de5c74d53a5d70b94
Source of Spectrum C-88-2870-15
Wiley ID 1590429