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4-(3,5-dimethylphenyl)butan-1-ol

View entire compound with spectra: 1 MS (GC)

4-(3,5-dimethylphenyl)butan-1-ol
SpectraBase Compound ID Ddot4tmVsyh
InChI InChI=1S/C12H18O/c1-10-7-11(2)9-12(8-10)5-3-4-6-13/h7-9,13H,3-6H2,1-2H3
InChIKey IDKIKDUWZZAPTH-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEUhpbsHxf7
Name 4-(3,5-dimethylphenyl)butan-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10-7-11(2)9-12(8-10)5-3-4-6-13/h7-9,13H,3-6H2,1-2H3
InChIKey IDKIKDUWZZAPTH-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Molecular Weight 178.275 g/mol
Quality 272
Reported Formula C12H18O
SMILES OCCCCC1=CC(=CC(=C1)C)C
SPLASH splash10-014i-0900000000-58783f7bdfa3a62fbe67
Source of Spectrum ACI-61-SM39-10n (DOI: 10.1002/anie.202203807)
Wiley ID 1897802