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(1S)-6,7-dimethyltetralin-1-ol
SpectraBase Compound ID CULq9bRg97K
InChI InChI=1S/C12H16O/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h6-7,12-13H,3-5H2,1-2H3/t12-/m0/s1
InChIKey XRHFLGNWSKXMIC-LBPRGKRZSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F94Nb4yJJLD
Name (1S)-6,7-dimethyltetralin-1-ol
Appearance Pale-yellow oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
GC Oven Program Oven temp 280oC
InChI InChI=1S/C12H16O/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h6-7,12-13H,3-5H2,1-2H3/t12-/m0/s1
InChIKey XRHFLGNWSKXMIC-LBPRGKRZSA-N
Inlet Type Split (50:1)
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202306584
Molecular Weight 176.259 g/mol
Quality 279
SMILES O[C@@]1(C=2C=C(C(=CC2CCC1)C)C)[H]
SPLASH splash10-002f-1900000000-b221fc567d5f22ab71de
Sample Comments 91% ee
Source of Spectrum ACI-62-SM40-10b (DOI: 10.1002/anie.202306584)
Thin-Layer Chromatography 0.12 (pure DCM)
Wiley ID 1911197