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1-Phenyl-1,5-dihydroxyhepta-3-one

View entire compound with spectra: 1 MS (GC)

1-Phenyl-1,5-dihydroxyhepta-3-one
SpectraBase Compound ID 6CHh59OegDj
InChI InChI=1S/C13H18O3/c1-2-11(14)8-12(15)9-13(16)10-6-4-3-5-7-10/h3-7,11,13-14,16H,2,8-9H2,1H3
InChIKey IGOVAWOJNAQOCX-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUO42ZYhTes
Name 1-Phenyl-1,5-dihydroxyhepta-3-one
Alternate Name(s) 1,5-Dihydroxy-1-phenyl-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-2-11(14)8-12(15)9-13(16)10-6-4-3-5-7-10/h3-7,11,13-14,16H,2,8-9H2,1H3
InChIKey IGOVAWOJNAQOCX-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES OC(CC(CC(c1ccccc1)O)=O)CC
SPLASH splash10-0aba-7930000000-dda84a9fbaa2e6e4728b
Source of Spectrum AJ-61-3981-14
Wiley ID 1222641