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1-[(cis)-1',3'-Dimethylindan-5'-yl]butan-1-one
SpectraBase Compound ID 3qUdzRXelX6
InChI InChI=1S/C15H20O/c1-4-5-15(16)12-6-7-13-10(2)8-11(3)14(13)9-12/h6-7,9-11H,4-5,8H2,1-3H3/t10-,11+/m0/s1
InChIKey PVYUNTIKIYMDFU-WDEREUQCSA-N
Mol Weight 216.32 g/mol
Molecular Formula C15H20O
Exact Mass 216.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NuTABiTbdi
Name 1-[(cis)-1',3'-Dimethylindan-5'-yl]butan-1-one
Alternate Name(s) 1-[(1S,3R)-1,3-dimethyl-2,3-dihydro-1H-inden-5-yl]-1-butanone
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Formula C15H20O
InChI InChI=1S/C15H20O/c1-4-5-15(16)12-6-7-13-10(2)8-11(3)14(13)9-12/h6-7,9-11H,4-5,8H2,1-3H3/t10-,11+/m0/s1
InChIKey PVYUNTIKIYMDFU-WDEREUQCSA-N
Molecular Weight 216.324 g/mol
SMILES c12c([C@@](C)(C[C@]2(C)[H])[H])ccc(c1)C(=O)CCC
SPLASH splash10-00di-0910000000-8408eac06708d6052f4c
Source of Spectrum B-51-180-7
Wiley ID 745982