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Benzene, [[(1,2-dimethyl-3-butynyl)oxy]methyl]-, [R-(R*,S*)]-
SpectraBase Compound ID JgSCkjcZivO
InChI InChI=1S/C13H16O/c1-4-11(2)12(3)14-10-13-8-6-5-7-9-13/h1,5-9,11-12H,10H2,2-3H3/t11-,12+/m0/s1
InChIKey MTZOJNQXLWNCRW-NWDGAFQWSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUTg1jYvGXP
Name Benzene, [[(1,2-dimethyl-3-butynyl)oxy]methyl]-, [R-(R*,S*)]-
Alternate Name(s) (3S,4R)-4-benzyloxy-3-methylpent-1-yne ({[(1R,2S)-1,2-dimethyl-3-butynyl]oxy}methyl)benzene benzyl (1R,2S)-1,2-dimethyl-3-butynyl ether
CAS Registry Number 107692-06-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-4-11(2)12(3)14-10-13-8-6-5-7-9-13/h1,5-9,11-12H,10H2,2-3H3/t11-,12+/m0/s1
InChIKey MTZOJNQXLWNCRW-NWDGAFQWSA-N
Molecular Weight 188.270 g/mol
SMILES C(#C)[C@@]([C@](OCc1ccccc1)(C)[H])(C)[H]
SPLASH splash10-052f-9700000000-c51d9255c0e272d46d99
Source of Spectrum KC-1987-1620-37
Wiley ID 1185201