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5-(sec-butyl)-2,3-dihydro-1H-inden-1-one
SpectraBase Compound ID 7POsZC8FN2D
InChI InChI=1S/C13H16O/c1-3-9(2)10-4-6-12-11(8-10)5-7-13(12)14/h4,6,8-9H,3,5,7H2,1-2H3/t9-/m1/s1
InChIKey PMPKWHJQKWSTAV-SECBINFHSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVlr8yPEwjW
Name 5-(sec-butyl)-2,3-dihydro-1H-inden-1-one
Appearance Colorless oil
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Formula C13H16O
InChI InChI=1S/C13H16O/c1-3-9(2)10-4-6-12-11(8-10)5-7-13(12)14/h4,6,8-9H,3,5,7H2,1-2H3/t9-/m1/s1
InChIKey PMPKWHJQKWSTAV-SECBINFHSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 188.270 g/mol
Reported Formula C13H16O
SMILES c12ccc(cc2CCC1=O)[C@@](CC)(C)[H]
SPLASH splash10-0aor-0900000000-75d15a9b671d06b5d770
Source of Spectrum ACI-59-SM21-6q
Thin-Layer Chromatography Rf = 0.47 (Pentane/EtOAc, 5:1)
Wiley ID 1857932