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(R)-1,4-Dihydroxy-1-phenylbutan-2-one
SpectraBase Compound ID Ce6epChmbX4
InChI InChI=1S/C10H12O3/c11-7-6-9(12)10(13)8-4-2-1-3-5-8/h1-5,10-11,13H,6-7H2/t10-/m1/s1
InChIKey HQJPPOXFQJOFOW-SNVBAGLBSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwFdoaVf2wA
Name (R)-1,4-Dihydroxy-1-phenylbutan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.078644243 u
Formula C10H12O3
InChI InChI=1S/C10H12O3/c11-7-6-9(12)10(13)8-4-2-1-3-5-8/h1-5,10-11,13H,6-7H2/t10-/m1/s1
InChIKey HQJPPOXFQJOFOW-SNVBAGLBSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202113405
Molecular Weight 180.203 g/mol
Quality 229
SMILES OCCC([C@@](C1=CC=CC=C1)(O)[H])=O
SPLASH splash10-0a4i-3900000000-287cc9c752a9fa9fa63a
Source of Spectrum ACI-61-SM18-36 (DOI: 10.1002/anie.202113405)
Wiley ID 1897493