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Benzenepropanol, .beta.-butyl-.gamma.-methoxy-, [R-(R*,S*)]-
SpectraBase Compound ID rXsTOs4lUe
InChI InChI=1S/C14H22O2/c1-3-4-8-13(11-15)14(16-2)12-9-6-5-7-10-12/h5-7,9-10,13-15H,3-4,8,11H2,1-2H3/t13-,14-/m0/s1
InChIKey KEGMXFGTIROGJM-KBPBESRZSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sHvM8egQ6y
Name Benzenepropanol, .beta.-butyl-.gamma.-methoxy-, [R-(R*,S*)]-
CAS Registry Number 133797-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-3-4-8-13(11-15)14(16-2)12-9-6-5-7-10-12/h5-7,9-10,13-15H,3-4,8,11H2,1-2H3/t13-,14-/m0/s1
InChIKey KEGMXFGTIROGJM-KBPBESRZSA-N
Molecular Weight 222.328 g/mol
SMILES OC[C@@]([C@](c1ccccc1)(OC)[H])(CCCC)[H]
SPLASH splash10-00di-0900000000-06729460310319028bae
Source of Spectrum C-113-3425-4
Synonyms (2S)-2-[(R)-methoxy(phenyl)methyl]-1-hexanol
Wiley ID 1222949