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7-Isopropyl-2,3-dihydro-1H-inden-1-one
SpectraBase Compound ID Ek4pUAga153
InChI InChI=1S/C12H14O/c1-8(2)10-5-3-4-9-6-7-11(13)12(9)10/h3-5,8H,6-7H2,1-2H3
InChIKey OLJLAXHVBJLHAV-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RYCYwHdp7o
Name 7-Isopropyl-2,3-dihydro-1H-inden-1-one
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.104465070 u
Formula C12H14O
InChI InChI=1S/C12H14O/c1-8(2)10-5-3-4-9-6-7-11(13)12(9)10/h3-5,8H,6-7H2,1-2H3
InChIKey OLJLAXHVBJLHAV-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708178
Molecular Weight 174.243 g/mol
Quality 59
Reported Formula C12H14O
SMILES CC(C)C=1C2=C(C=CC1)CCC2=O
SPLASH splash10-0ab9-0900000000-e348ba2c4695be41fef5
Source of Spectrum ACI-56-SM7-6 (DOI: 10.1002/anie.201708178)
Thin-Layer Chromatography 0.17 (iHex/EtOAc, 50:1)
Wiley ID 1896517