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Methyl (S)-2-[.alpha.,3,8-Trimethylazulen-5-yl]-acetate
SpectraBase Compound ID GQhzzd5qRt8
InChI InChI=1S/C16H18O2/c1-10-5-7-13(12(3)16(17)18-4)9-15-11(2)6-8-14(10)15/h5-9,12H,1-4H3/t12-/m0/s1
InChIKey YOHSPPFBWCCIPD-LBPRGKRZSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fBJ2JVY847
Name Methyl (S)-2-[.alpha.,3,8-Trimethylazulen-5-yl]-acetate
Alternate Name(s) (2S)-2-(3,8-dimethyl-5-azulenyl)propanoic acid methyl ester Methyl (2S)-2-(3,8-dimethylazulen-5-yl)propanoate
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Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-10-5-7-13(12(3)16(17)18-4)9-15-11(2)6-8-14(10)15/h5-9,12H,1-4H3/t12-/m0/s1
InChIKey YOHSPPFBWCCIPD-LBPRGKRZSA-N
Molecular Weight 242.318 g/mol
SMILES c12c(ccc2C)c(ccc(c1)[C@@](C(=O)OC)(C)[H])C
SPLASH splash10-0006-0980000000-d791ae6b1c2384dfd7e4
Source of Spectrum G4-69-1044-8
Wiley ID 1694444