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(S)-6-hydroxy-7-hydroxymethyl-4-methyltetralone
SpectraBase Compound ID JaaEjtE5chl
InChI InChI=1S/C12H14O3/c1-7-2-3-11(14)10-4-8(6-13)12(15)5-9(7)10/h4-5,7,13,15H,2-3,6H2,1H3/t7-/m0/s1
InChIKey IJQHBEXYGZEXDE-ZETCQYMHSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUclgpvquHy
Name (S)-6-hydroxy-7-hydroxymethyl-4-methyltetralone
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-7-2-3-11(14)10-4-8(6-13)12(15)5-9(7)10/h4-5,7,13,15H,2-3,6H2,1H3/t7-/m0/s1
InChIKey IJQHBEXYGZEXDE-ZETCQYMHSA-N
Instrument Name VG 70-250 S
Ionization Type EI
Literature Reference DOI 10.1021/np020218u
Molecular Weight 206.241 g/mol
Optical Rotation [a]D25 = -7.0 (c = 0.053, CHCl3)
Reported Formula C12H14O3
SMILES OCc1cc2c(cc1O)[C@](CCC2=O)(C)[H]
SPLASH splash10-052r-1930000000-aecc5a29677d8ffe2219
Source of Spectrum G4-65-1524-3
Synonyms Aristelegone-C
Wiley ID 1883499